diff --git a/CHANGES/v2.1.txt b/CHANGES/v2.1.txt
index 5d4dcca47511c6944595cec39162e5c0deef8f77..fffe60973b27e334f99d469fe0a3464b46b9094a 100644
--- a/CHANGES/v2.1.txt
+++ b/CHANGES/v2.1.txt
@@ -164,6 +164,9 @@ See <a href="http://github.com/plumed/plumed2/commits/v2.1">branch v2.1 on git r
For users:
- Fixed a severe bug on \ref DRMSD - cutoff values were ignored by PLUMED.
Notice that this bug was introduced in 2.1.0, so that it should not affect the 2.0.x series.
+- Patching system now checks for the availabity of shared/static/runtime version of plumed before
+ patching
+- GMX5 patch was not working for bias-exchange like cases
*/
diff --git a/patches/gromacs-5.0.diff/src/programs/mdrun/repl_ex.c b/patches/gromacs-5.0.diff/src/programs/mdrun/repl_ex.c
index 29d83832c9f701b998f933226308a25b97595aa7..cfb0b7f354b5277c0a61d02955d1f5c063b8dd8f 100644
--- a/patches/gromacs-5.0.diff/src/programs/mdrun/repl_ex.c
+++ b/patches/gromacs-5.0.diff/src/programs/mdrun/repl_ex.c
@@ -118,14 +118,16 @@ static gmx_bool repl_quantity(const gmx_multisim_t *ms,
qall[re->repl] = q;
gmx_sum_sim(ms->nsim, qall, ms);
- bDiff = FALSE;
- for (s = 1; s < ms->nsim; s++)
- {
- if (qall[s] != qall[0])
- {
+ /* PLUMED */
+ //bDiff = FALSE;
+ //for (s = 1; s < ms->nsim; s++)
+ //{
+ // if (qall[s] != qall[0])
+ // {
bDiff = TRUE;
- }
- }
+ // }
+ //}
+ /* END PLUMED */
if (bDiff)
{
@@ -275,6 +277,10 @@ gmx_repl_ex_t init_replica_exchange(FILE *fplog,
re->ind[i] = i;
}
+ /* PLUMED */
+ // plumed2: check if we want alternative patterns (i.e. for bias-exchange metaD)
+ // in those cases replicas can share the same temperature.
+ /*
if (re->type < ereENDSINGLE)
{
@@ -283,11 +289,12 @@ gmx_repl_ex_t init_replica_exchange(FILE *fplog,
for (j = i+1; j < re->nrepl; j++)
{
if (re->q[re->type][re->ind[j]] < re->q[re->type][re->ind[i]])
- {
+ {*/
/* Unordered replicas are supposed to work, but there
* is still an issues somewhere.
* Note that at this point still re->ind[i]=i.
*/
+ /*
gmx_fatal(FARGS, "Replicas with indices %d < %d have %ss %g > %g, please order your replicas on increasing %s",
i, j,
erename[re->type],
@@ -305,6 +312,8 @@ gmx_repl_ex_t init_replica_exchange(FILE *fplog,
}
}
}
+ */
+ /* END PLUMED */
/* keep track of all the swaps, starting with the initial placement. */
snew(re->allswaps, re->nrepl);
diff --git a/regtest/basic/rt-mpi3/COLVAR.0.reference b/regtest/basic/rt-mpi3/COLVAR.0.reference
index a2a16e7127128092168efdeed5c1235fa5697bf2..a4dedaf09755f904949d1b0e31d38b3956d75fe0 100644
--- a/regtest/basic/rt-mpi3/COLVAR.0.reference
+++ b/regtest/basic/rt-mpi3/COLVAR.0.reference
@@ -1,11 +1,11 @@
-#! FIELDS time c cexp cexpn cgaus cgausn dist dip dip2 xxx @14.bias @14.force2
- 0.000000 15.119 24.183 24.183 0.651 0.651 2.001 13.597 30.718 1.263 65.512 655.122
- 0.050000 15.094 24.199 24.199 0.792 0.792 1.984 13.952 30.612 1.318 64.879 648.785
- 0.100000 15.352 24.268 24.268 0.893 0.893 1.987 14.420 30.506 1.393 71.613 716.129
- 0.150000 15.714 24.365 24.365 1.069 1.069 1.991 14.785 30.472 1.475 81.615 816.150
- 0.200000 15.764 24.358 24.358 1.170 1.170 1.985 14.926 30.477 1.491 83.065 830.651
- 0.250000 15.119 24.183 24.183 0.651 0.651 2.001 13.597 30.718 1.263 65.512 655.122
- 0.300000 15.094 24.199 24.199 0.792 0.792 1.984 13.952 30.612 1.318 64.879 648.785
- 0.350000 15.352 24.268 24.268 0.893 0.893 1.987 14.420 30.506 1.393 71.613 716.129
- 0.400000 15.714 24.365 24.365 1.069 1.069 1.991 14.785 30.472 1.475 81.615 816.150
- 0.450000 15.764 24.358 24.358 1.170 1.170 1.985 14.926 30.477 1.491 83.065 830.651
+#! FIELDS time c cexp cgaus dist dip dip2 xxx @12.bias @12.force2
+ 0.000000 15.119 24.183 0.651 2.001 13.597 30.718 1.263 65.512 655.122
+ 0.050000 15.094 24.199 0.792 1.984 13.952 30.612 1.318 64.879 648.785
+ 0.100000 15.352 24.268 0.893 1.987 14.420 30.506 1.393 71.613 716.129
+ 0.150000 15.714 24.365 1.069 1.991 14.785 30.472 1.475 81.615 816.150
+ 0.200000 15.764 24.358 1.170 1.985 14.926 30.477 1.491 83.065 830.651
+ 0.250000 15.119 24.183 0.651 2.001 13.597 30.718 1.263 65.512 655.122
+ 0.300000 15.094 24.199 0.792 1.984 13.952 30.612 1.318 64.879 648.785
+ 0.350000 15.352 24.268 0.893 1.987 14.420 30.506 1.393 71.613 716.129
+ 0.400000 15.714 24.365 1.069 1.991 14.785 30.472 1.475 81.615 816.150
+ 0.450000 15.764 24.358 1.170 1.985 14.926 30.477 1.491 83.065 830.651
diff --git a/regtest/basic/rt-mpi3/deriv.0.reference b/regtest/basic/rt-mpi3/deriv.0.reference
index d671ce363b998b8cc2480b8411d053c7d8b91592..1aa4ba8e77f2a90404f15290cfdde8361753e87c 100644
--- a/regtest/basic/rt-mpi3/deriv.0.reference
+++ b/regtest/basic/rt-mpi3/deriv.0.reference
@@ -1,2281 +1,2281 @@
-#! FIELDS time parameter cexp cexpn cgaus cgausn
- 0.000000 0 -1.0977 -1.0977 -0.7054 -0.7054
- 0.000000 1 -0.2824 -0.2824 -0.0438 -0.0438
- 0.000000 2 0.0752 0.0752 -0.0282 -0.0282
- 0.000000 3 0.6840 0.6840 0.7185 0.7185
- 0.000000 4 -0.5934 -0.5934 -0.4636 -0.4636
- 0.000000 5 0.1136 0.1136 -0.1332 -0.1332
- 0.000000 6 0.3101 0.3101 0.2409 0.2409
- 0.000000 7 -0.1363 -0.1363 -0.1608 -0.1608
- 0.000000 8 0.2909 0.2909 0.0897 0.0897
- 0.000000 9 -1.0297 -1.0297 -0.2256 -0.2256
- 0.000000 10 -0.1280 -0.1280 -0.0841 -0.0841
- 0.000000 11 0.0601 0.0601 0.1194 0.1194
- 0.000000 12 -0.6495 -0.6495 -0.3451 -0.3451
- 0.000000 13 -0.2061 -0.2061 -0.1230 -0.1230
- 0.000000 14 -0.0308 -0.0308 -0.0865 -0.0865
- 0.000000 15 0.0380 0.0380 -0.0014 -0.0014
- 0.000000 16 -0.8860 -0.8860 -0.5686 -0.5686
- 0.000000 17 -0.2267 -0.2267 -0.0699 -0.0699
- 0.000000 18 0.3070 0.3070 -0.0146 -0.0146
- 0.000000 19 -0.0731 -0.0731 -0.0758 -0.0758
- 0.000000 20 -0.1410 -0.1410 -0.0742 -0.0742
- 0.000000 21 -1.0747 -1.0747 -0.4865 -0.4865
- 0.000000 22 -0.2073 -0.2073 -0.0967 -0.0967
- 0.000000 23 -0.1092 -0.1092 -0.0954 -0.0954
- 0.000000 24 -0.7491 -0.7491 -0.5879 -0.5879
- 0.000000 25 -0.3566 -0.3566 0.0377 0.0377
- 0.000000 26 0.0253 0.0253 -0.0503 -0.0503
- 0.000000 27 0.0127 0.0127 0.1754 0.1754
- 0.000000 28 -0.8136 -0.8136 -0.3167 -0.3167
- 0.000000 29 0.1078 0.1078 0.1731 0.1731
- 0.000000 30 -0.0651 -0.0651 0.0000 0.0000
- 0.000000 31 0.2948 0.2948 0.0000 0.0000
- 0.000000 32 -0.0443 -0.0443 -0.0000 -0.0000
- 0.000000 33 -0.2944 -0.2944 -0.0894 -0.0894
- 0.000000 34 0.9309 0.9309 0.5351 0.5351
- 0.000000 35 -0.0980 -0.0980 -0.1758 -0.1758
- 0.000000 36 0.2315 0.2315 0.0739 0.0739
- 0.000000 37 0.8375 0.8375 0.2379 0.2379
- 0.000000 38 -0.0971 -0.0971 0.0339 0.0339
- 0.000000 39 0.0618 0.0618 -0.0000 -0.0000
- 0.000000 40 0.2260 0.2260 0.0000 0.0000
- 0.000000 41 0.0121 0.0121 -0.0000 -0.0000
- 0.000000 42 -0.0786 -0.0786 -0.0000 -0.0000
- 0.000000 43 0.2729 0.2729 0.0000 0.0000
- 0.000000 44 0.0254 0.0254 0.0000 0.0000
- 0.000000 45 -0.2716 -0.2716 -0.0492 -0.0492
- 0.000000 46 0.7259 0.7259 0.2443 0.2443
- 0.000000 47 -0.0782 -0.0782 -0.0918 -0.0918
- 0.000000 48 0.2540 0.2540 0.1367 0.1367
- 0.000000 49 0.7601 0.7601 0.3852 0.3852
- 0.000000 50 0.0533 0.0533 -0.0471 -0.0471
- 0.000000 51 -0.8718 -0.8718 -0.7649 -0.7649
- 0.000000 52 0.3340 0.3340 0.2155 0.2155
- 0.000000 53 0.1759 0.1759 0.2944 0.2944
- 0.000000 54 -0.3789 -0.3789 -0.0001 -0.0001
- 0.000000 55 0.0941 0.0941 0.0000 0.0000
- 0.000000 56 0.0104 0.0104 -0.0000 -0.0000
- 0.000000 57 -0.1572 -0.1572 -0.0000 -0.0000
- 0.000000 58 -0.0789 -0.0789 0.0000 0.0000
- 0.000000 59 0.0669 0.0669 0.0000 0.0000
- 0.000000 60 -0.9160 -0.9160 -0.3638 -0.3638
- 0.000000 61 -0.2738 -0.2738 -0.1589 -0.1589
- 0.000000 62 0.0314 0.0314 -0.0241 -0.0241
- 0.000000 63 0.6121 0.6121 0.3885 0.3885
- 0.000000 64 0.5548 0.5548 0.4182 0.4182
- 0.000000 65 -0.0903 -0.0903 -0.0046 -0.0046
- 0.000000 66 -0.0998 -0.0998 -0.0000 0.0000
- 0.000000 67 -0.1529 -0.1529 -0.0000 0.0000
- 0.000000 68 0.0136 0.0136 0.0000 0.0000
- 0.000000 69 -0.0649 -0.0649 -0.0000 0.0000
- 0.000000 70 -0.1017 -0.1017 -0.0000 0.0000
- 0.000000 71 0.0254 0.0254 0.0000 0.0000
- 0.000000 72 -0.1515 -0.1515 -0.0000 0.0000
- 0.000000 73 -0.1743 -0.1743 -0.0000 0.0000
- 0.000000 74 0.0132 0.0132 -0.0000 0.0000
- 0.000000 75 -0.4421 -0.4421 -0.0874 -0.0874
- 0.000000 76 -0.4605 -0.4605 -0.0911 -0.0911
- 0.000000 77 -0.0625 -0.0625 -0.0043 -0.0043
- 0.000000 78 -0.1093 -0.1093 -0.0000 0.0000
- 0.000000 79 -0.1330 -0.1330 -0.0000 0.0000
- 0.000000 80 -0.0579 -0.0579 -0.0000 0.0000
- 0.000000 81 -0.0526 -0.0526 -0.0000 0.0000
- 0.000000 82 -0.0583 -0.0583 -0.0000 0.0000
- 0.000000 83 -0.0116 -0.0116 -0.0000 0.0000
- 0.000000 84 -0.1163 -0.1163 -0.0000 0.0000
- 0.000000 85 -0.1200 -0.1200 -0.0000 0.0000
- 0.000000 86 -0.0574 -0.0574 -0.0000 0.0000
- 0.000000 87 -0.2353 -0.2353 -0.0000 0.0000
- 0.000000 88 -0.2803 -0.2803 -0.0000 0.0000
- 0.000000 89 -0.0356 -0.0356 -0.0000 0.0000
- 0.000000 90 -0.1647 -0.1647 -0.0000 0.0000
- 0.000000 91 -0.1300 -0.1300 -0.0000 0.0000
- 0.000000 92 0.0262 0.0262 0.0000 0.0000
- 0.000000 93 -0.0231 -0.0231 -0.0000 0.0000
- 0.000000 94 -0.0644 -0.0644 -0.0000 0.0000
- 0.000000 95 0.0024 0.0024 0.0000 0.0000
- 0.000000 96 -0.0975 -0.0975 -0.0000 0.0000
- 0.000000 97 -0.0009 -0.0009 -0.0000 0.0000
- 0.000000 98 0.0224 0.0224 0.0000 0.0000
- 0.000000 99 -0.1493 -0.1493 -0.0000 0.0000
- 0.000000 100 0.1424 0.1424 0.0000 0.0000
- 0.000000 101 0.0063 0.0063 0.0000 0.0000
- 0.000000 102 -0.0365 -0.0365 -0.0000 0.0000
- 0.000000 103 0.1039 0.1039 0.0000 0.0000
- 0.000000 104 0.0067 0.0067 0.0000 0.0000
- 0.000000 105 -0.0957 -0.0957 -0.0000 0.0000
- 0.000000 106 0.1392 0.1392 0.0000 0.0000
- 0.000000 107 0.0334 0.0334 0.0000 0.0000
- 0.000000 108 -0.4930 -0.4930 -0.2818 -0.2818
- 0.000000 109 0.5157 0.5157 0.3093 0.3093
- 0.000000 110 0.0113 0.0113 0.0118 0.0118
- 0.000000 111 -0.1492 -0.1492 -0.0000 0.0000
- 0.000000 112 0.1246 0.1246 0.0000 0.0000
- 0.000000 113 -0.0300 -0.0300 -0.0000 0.0000
- 0.000000 114 -0.0220 -0.0220 -0.0000 0.0000
- 0.000000 115 0.0641 0.0641 0.0000 0.0000
- 0.000000 116 -0.0141 -0.0141 0.0000 0.0000
- 0.000000 117 -0.2117 -0.2117 -0.0000 0.0000
- 0.000000 118 0.1637 0.1637 0.0000 0.0000
- 0.000000 119 -0.0294 -0.0294 -0.0000 0.0000
- 0.000000 120 -0.4586 -0.4586 -0.1770 -0.1770
- 0.000000 121 0.4473 0.4473 0.1902 0.1902
- 0.000000 122 -0.0905 -0.0905 -0.0021 -0.0021
- 0.000000 123 -0.1403 -0.1403 -0.0000 0.0000
- 0.000000 124 0.2080 0.2080 0.0000 0.0000
- 0.000000 125 -0.0149 -0.0149 -0.0000 0.0000
- 0.000000 126 -0.0528 -0.0528 -0.0000 0.0000
- 0.000000 127 0.0540 0.0540 0.0000 0.0000
- 0.000000 128 0.0130 0.0130 -0.0000 0.0000
- 0.000000 129 -0.1666 -0.1666 -0.0000 0.0000
- 0.000000 130 0.1256 0.1256 0.0000 0.0000
- 0.000000 131 0.0091 0.0091 -0.0000 0.0000
- 0.000000 132 -0.4242 -0.4242 -0.0912 -0.0912
- 0.000000 133 0.3932 0.3932 0.0878 0.0878
- 0.000000 134 0.0241 0.0241 0.0085 0.0085
- 0.000000 135 0.3415 0.3415 0.0001 0.0001
- 0.000000 136 0.0598 0.0598 0.0000 0.0000
- 0.000000 137 0.0175 0.0175 0.0000 0.0000
- 0.000000 138 0.9032 0.9032 0.5729 0.5729
- 0.000000 139 0.3194 0.3194 0.0957 0.0957
- 0.000000 140 0.0087 0.0087 -0.0371 -0.0371
- 0.000000 141 0.7147 0.7147 0.1712 0.1712
- 0.000000 142 -0.2856 -0.2856 -0.1158 -0.1158
- 0.000000 143 0.1527 0.1527 0.0525 0.0525
- 0.000000 144 0.3818 0.3818 0.0000 0.0000
- 0.000000 145 -0.0933 -0.0933 0.0000 0.0000
- 0.000000 146 0.0210 0.0210 0.0000 0.0000
- 0.000000 147 0.1934 0.1934 0.0000 0.0000
- 0.000000 148 0.0627 0.0627 -0.0000 -0.0000
- 0.000000 149 -0.0140 -0.0140 -0.0000 -0.0000
- 0.000000 150 0.8504 0.8504 0.5189 0.5189
- 0.000000 151 0.2858 0.2858 0.1916 0.1916
- 0.000000 152 -0.0922 -0.0922 0.1859 0.1859
- 0.000000 153 0.8571 0.8571 0.1830 0.1830
- 0.000000 154 -0.2699 -0.2699 -0.0839 -0.0839
- 0.000000 155 -0.0370 -0.0370 0.0268 0.0268
- 0.000000 156 0.1594 0.1594 0.0000 0.0000
- 0.000000 157 -0.0877 -0.0877 -0.0000 -0.0000
- 0.000000 158 -0.0360 -0.0360 -0.0000 -0.0000
- 0.000000 159 0.2899 0.2899 0.0001 0.0001
- 0.000000 160 0.0351 0.0351 -0.0000 -0.0000
- 0.000000 161 -0.0119 -0.0119 -0.0000 -0.0000
- 0.000000 162 0.7163 0.7163 0.3761 0.3761
- 0.000000 163 0.1261 0.1261 0.0182 0.0182
- 0.000000 164 0.0712 0.0712 0.0842 0.0842
- 0.000000 165 0.6206 0.6206 0.3723 0.3723
- 0.000000 166 -0.3722 -0.3722 -0.3508 -0.3508
- 0.000000 167 -0.1478 -0.1478 -0.1459 -0.1459
- 0.000000 168 0.3266 0.3266 0.0000 0.0000
- 0.000000 169 -0.1100 -0.1100 -0.0000 0.0000
- 0.000000 170 0.0297 0.0297 -0.0000 0.0000
- 0.000000 171 0.0834 0.0834 0.0000 0.0000
- 0.000000 172 -0.1280 -0.1280 -0.0000 0.0000
- 0.000000 173 0.0307 0.0307 0.0000 0.0000
- 0.000000 174 0.4551 0.4551 0.1114 0.1114
- 0.000000 175 -0.4582 -0.4582 -0.1049 -0.1049
- 0.000000 176 0.0434 0.0434 -0.0007 -0.0007
- 0.000000 177 0.1191 0.1191 0.0000 0.0000
- 0.000000 178 -0.0161 -0.0161 -0.0000 0.0000
- 0.000000 179 0.0321 0.0321 0.0000 0.0000
- 0.000000 180 0.0223 0.0223 0.0000 0.0000
- 0.000000 181 -0.0506 -0.0506 -0.0000 0.0000
- 0.000000 182 0.0138 0.0138 -0.0000 0.0000
- 0.000000 183 0.1417 0.1417 0.0000 0.0000
- 0.000000 184 -0.1581 -0.1581 -0.0000 0.0000
- 0.000000 185 -0.0071 -0.0071 0.0000 0.0000
- 0.000000 186 0.4073 0.4073 0.1702 0.1702
- 0.000000 187 -0.4679 -0.4679 -0.1878 -0.1878
- 0.000000 188 -0.0971 -0.0971 -0.0036 -0.0036
- 0.000000 189 0.1486 0.1486 0.0000 0.0000
- 0.000000 190 -0.2072 -0.2072 -0.0000 0.0000
- 0.000000 191 -0.0145 -0.0145 -0.0000 0.0000
- 0.000000 192 0.0478 0.0478 0.0000 0.0000
- 0.000000 193 -0.0101 -0.0101 -0.0000 0.0000
- 0.000000 194 -0.0226 -0.0226 0.0000 0.0000
- 0.000000 195 0.0977 0.0977 0.0000 0.0000
- 0.000000 196 -0.1254 -0.1254 -0.0000 0.0000
- 0.000000 197 -0.0133 -0.0133 -0.0000 0.0000
- 0.000000 198 0.2620 0.2620 0.0000 0.0000
- 0.000000 199 -0.3188 -0.3188 -0.0000 0.0000
- 0.000000 200 0.0718 0.0718 0.0000 0.0000
- 0.000000 201 0.1032 0.1032 0.0000 0.0000
- 0.000000 202 -0.1908 -0.1908 -0.0000 0.0000
- 0.000000 203 -0.0142 -0.0142 -0.0000 0.0000
- 0.000000 204 0.0292 0.0292 0.0000 0.0000
- 0.000000 205 -0.0736 -0.0736 -0.0000 0.0000
- 0.000000 206 0.0124 0.0124 0.0000 0.0000
- 0.000000 207 0.0715 0.0715 0.0000 0.0000
- 0.000000 208 0.0641 0.0641 0.0000 0.0000
- 0.000000 209 0.0125 0.0125 -0.0000 0.0000
- 0.000000 210 0.1531 0.1530 0.0000 0.0000
- 0.000000 211 0.1179 0.1179 0.0000 0.0000
- 0.000000 212 0.0142 0.0142 0.0000 0.0000
- 0.000000 213 0.4328 0.4328 0.0612 0.0612
- 0.000000 214 0.3977 0.3977 0.0596 0.0596
- 0.000000 215 0.0449 0.0449 -0.0052 -0.0052
- 0.000000 216 0.1509 0.1509 0.0000 0.0000
- 0.000000 217 0.1543 0.1543 0.0000 0.0000
- 0.000000 218 -0.0050 -0.0050 -0.0000 0.0000
- 0.000000 219 27.2276 27.2276 4.0959 4.0959
- 0.000000 220 -2.7210 -2.7210 -0.5727 -0.5727
- 0.000000 221 -0.0063 -0.0063 -0.0506 -0.0506
- 0.000000 222 -2.7210 -2.7210 -0.5727 -0.5727
- 0.000000 223 21.2405 21.2405 3.3478 3.3478
- 0.000000 224 -0.2061 -0.2061 -0.1358 -0.1358
- 0.000000 225 -0.0063 -0.0063 -0.0506 -0.0506
- 0.000000 226 -0.2061 -0.2061 -0.1358 -0.1358
- 0.000000 227 18.6484 18.6484 3.2887 3.2887
- 0.050000 0 -1.0934 -1.0934 -0.8874 -0.8874
- 0.050000 1 -0.2438 -0.2438 -0.0471 -0.0471
- 0.050000 2 0.0868 0.0868 -0.0453 -0.0453
- 0.050000 3 0.7016 0.7016 0.9150 0.9150
- 0.050000 4 -0.6333 -0.6333 -0.7489 -0.7489
- 0.050000 5 0.0960 0.0960 -0.3982 -0.3982
- 0.050000 6 0.3195 0.3195 0.1820 0.1820
- 0.050000 7 -0.1363 -0.1363 -0.1547 -0.1547
- 0.050000 8 0.2525 0.2525 0.0424 0.0424
- 0.050000 9 -1.0638 -1.0638 -0.1625 -0.1625
- 0.050000 10 -0.1283 -0.1283 -0.1267 -0.1267
- 0.050000 11 0.0548 0.0548 0.1733 0.1733
- 0.050000 12 -0.6583 -0.6583 -0.4109 -0.4109
- 0.050000 13 -0.2239 -0.2239 -0.1595 -0.1595
- 0.050000 14 -0.0668 -0.0668 -0.2072 -0.2072
- 0.050000 15 -0.0009 -0.0009 0.0245 0.0245
- 0.050000 16 -0.9168 -0.9168 -0.5182 -0.5182
- 0.050000 17 -0.2318 -0.2318 -0.0680 -0.0680
- 0.050000 18 0.2980 0.2980 -0.1280 -0.1280
- 0.050000 19 -0.2101 -0.2101 -0.1369 -0.1369
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- 0.450000 190 -0.2827 -0.2827 -0.0000 0.0000
- 0.450000 191 -0.0158 -0.0158 0.0000 0.0000
- 0.450000 192 0.0482 0.0482 0.0000 0.0000
- 0.450000 193 -0.0739 -0.0739 -0.0000 0.0000
- 0.450000 194 -0.0152 -0.0152 -0.0000 0.0000
- 0.450000 195 0.0757 0.0757 0.0000 0.0000
- 0.450000 196 -0.1321 -0.1321 -0.0000 0.0000
- 0.450000 197 -0.0100 -0.0100 -0.0000 0.0000
- 0.450000 198 0.2501 0.2501 0.0000 0.0000
- 0.450000 199 -0.3319 -0.3319 -0.0000 -0.0000
- 0.450000 200 0.0871 0.0871 0.0000 0.0000
- 0.450000 201 0.0981 0.0981 0.0000 0.0000
- 0.450000 202 -0.0929 -0.0929 -0.0000 -0.0000
- 0.450000 203 -0.0158 -0.0158 -0.0000 -0.0000
- 0.450000 204 0.0302 0.0302 0.0000 0.0000
- 0.450000 205 -0.0169 -0.0169 -0.0000 0.0000
- 0.450000 206 0.0133 0.0133 0.0000 0.0000
- 0.450000 207 0.0568 0.0568 0.0000 0.0000
- 0.450000 208 0.0592 0.0592 0.0000 0.0000
- 0.450000 209 0.0047 0.0047 -0.0000 0.0000
- 0.450000 210 0.1197 0.1197 0.0000 0.0000
- 0.450000 211 0.0768 0.0768 0.0000 0.0000
- 0.450000 212 0.0025 0.0025 -0.0000 0.0000
- 0.450000 213 0.3473 0.3473 0.0114 0.0114
- 0.450000 214 0.4102 0.4102 0.0149 0.0149
- 0.450000 215 0.0016 0.0016 -0.0003 -0.0003
- 0.450000 216 0.0948 0.0948 0.0000 0.0000
- 0.450000 217 0.1736 0.1736 0.0000 0.0000
- 0.450000 218 0.0088 0.0088 -0.0000 0.0000
- 0.450000 219 26.2857 26.2857 5.4070 5.4070
- 0.450000 220 -3.0268 -3.0268 0.1261 0.1261
- 0.450000 221 -0.2132 -0.2132 0.7159 0.7159
- 0.450000 222 -3.0268 -3.0268 0.1261 0.1261
- 0.450000 223 22.3262 22.3262 4.5287 4.5287
- 0.450000 224 -0.3165 -0.3165 0.0496 0.0496
- 0.450000 225 -0.2132 -0.2132 0.7159 0.7159
- 0.450000 226 -0.3165 -0.3165 0.0496 0.0496
- 0.450000 227 18.8466 18.8466 5.5754 5.5754
+#! FIELDS time parameter cexp cgaus
+ 0.000000 0 -1.0977 -0.7054
+ 0.000000 1 -0.2824 -0.0438
+ 0.000000 2 0.0752 -0.0282
+ 0.000000 3 0.6840 0.7185
+ 0.000000 4 -0.5934 -0.4636
+ 0.000000 5 0.1136 -0.1332
+ 0.000000 6 0.3101 0.2409
+ 0.000000 7 -0.1363 -0.1608
+ 0.000000 8 0.2909 0.0897
+ 0.000000 9 -1.0297 -0.2256
+ 0.000000 10 -0.1280 -0.0841
+ 0.000000 11 0.0601 0.1194
+ 0.000000 12 -0.6495 -0.3451
+ 0.000000 13 -0.2061 -0.1230
+ 0.000000 14 -0.0308 -0.0865
+ 0.000000 15 0.0380 -0.0014
+ 0.000000 16 -0.8860 -0.5686
+ 0.000000 17 -0.2267 -0.0699
+ 0.000000 18 0.3070 -0.0146
+ 0.000000 19 -0.0731 -0.0758
+ 0.000000 20 -0.1410 -0.0742
+ 0.000000 21 -1.0747 -0.4865
+ 0.000000 22 -0.2073 -0.0967
+ 0.000000 23 -0.1092 -0.0954
+ 0.000000 24 -0.7491 -0.5879
+ 0.000000 25 -0.3566 0.0377
+ 0.000000 26 0.0253 -0.0503
+ 0.000000 27 0.0127 0.1754
+ 0.000000 28 -0.8136 -0.3167
+ 0.000000 29 0.1078 0.1731
+ 0.000000 30 -0.0651 0.0000
+ 0.000000 31 0.2948 0.0000
+ 0.000000 32 -0.0443 -0.0000
+ 0.000000 33 -0.2944 -0.0894
+ 0.000000 34 0.9309 0.5351
+ 0.000000 35 -0.0980 -0.1758
+ 0.000000 36 0.2315 0.0739
+ 0.000000 37 0.8375 0.2379
+ 0.000000 38 -0.0971 0.0339
+ 0.000000 39 0.0618 -0.0000
+ 0.000000 40 0.2260 0.0000
+ 0.000000 41 0.0121 -0.0000
+ 0.000000 42 -0.0786 -0.0000
+ 0.000000 43 0.2729 0.0000
+ 0.000000 44 0.0254 0.0000
+ 0.000000 45 -0.2716 -0.0492
+ 0.000000 46 0.7259 0.2443
+ 0.000000 47 -0.0782 -0.0918
+ 0.000000 48 0.2540 0.1367
+ 0.000000 49 0.7601 0.3852
+ 0.000000 50 0.0533 -0.0471
+ 0.000000 51 -0.8718 -0.7649
+ 0.000000 52 0.3340 0.2155
+ 0.000000 53 0.1759 0.2944
+ 0.000000 54 -0.3789 -0.0001
+ 0.000000 55 0.0941 0.0000
+ 0.000000 56 0.0104 -0.0000
+ 0.000000 57 -0.1572 -0.0000
+ 0.000000 58 -0.0789 0.0000
+ 0.000000 59 0.0669 0.0000
+ 0.000000 60 -0.9160 -0.3638
+ 0.000000 61 -0.2738 -0.1589
+ 0.000000 62 0.0314 -0.0241
+ 0.000000 63 0.6121 0.3885
+ 0.000000 64 0.5548 0.4182
+ 0.000000 65 -0.0903 -0.0046
+ 0.000000 66 -0.0998 -0.0000
+ 0.000000 67 -0.1529 -0.0000
+ 0.000000 68 0.0136 0.0000
+ 0.000000 69 -0.0649 -0.0000
+ 0.000000 70 -0.1017 -0.0000
+ 0.000000 71 0.0254 0.0000
+ 0.000000 72 -0.1515 -0.0000
+ 0.000000 73 -0.1743 -0.0000
+ 0.000000 74 0.0132 -0.0000
+ 0.000000 75 -0.4421 -0.0874
+ 0.000000 76 -0.4605 -0.0911
+ 0.000000 77 -0.0625 -0.0043
+ 0.000000 78 -0.1093 -0.0000
+ 0.000000 79 -0.1330 -0.0000
+ 0.000000 80 -0.0579 -0.0000
+ 0.000000 81 -0.0526 -0.0000
+ 0.000000 82 -0.0583 -0.0000
+ 0.000000 83 -0.0116 -0.0000
+ 0.000000 84 -0.1163 -0.0000
+ 0.000000 85 -0.1200 -0.0000
+ 0.000000 86 -0.0574 -0.0000
+ 0.000000 87 -0.2353 -0.0000
+ 0.000000 88 -0.2803 -0.0000
+ 0.000000 89 -0.0356 -0.0000
+ 0.000000 90 -0.1647 -0.0000
+ 0.000000 91 -0.1300 -0.0000
+ 0.000000 92 0.0262 0.0000
+ 0.000000 93 -0.0231 -0.0000
+ 0.000000 94 -0.0644 -0.0000
+ 0.000000 95 0.0024 0.0000
+ 0.000000 96 -0.0975 -0.0000
+ 0.000000 97 -0.0009 -0.0000
+ 0.000000 98 0.0224 0.0000
+ 0.000000 99 -0.1493 -0.0000
+ 0.000000 100 0.1424 0.0000
+ 0.000000 101 0.0063 0.0000
+ 0.000000 102 -0.0365 -0.0000
+ 0.000000 103 0.1039 0.0000
+ 0.000000 104 0.0067 0.0000
+ 0.000000 105 -0.0957 -0.0000
+ 0.000000 106 0.1392 0.0000
+ 0.000000 107 0.0334 0.0000
+ 0.000000 108 -0.4930 -0.2818
+ 0.000000 109 0.5157 0.3093
+ 0.000000 110 0.0113 0.0118
+ 0.000000 111 -0.1492 -0.0000
+ 0.000000 112 0.1246 0.0000
+ 0.000000 113 -0.0300 -0.0000
+ 0.000000 114 -0.0220 -0.0000
+ 0.000000 115 0.0641 0.0000
+ 0.000000 116 -0.0141 0.0000
+ 0.000000 117 -0.2117 -0.0000
+ 0.000000 118 0.1637 0.0000
+ 0.000000 119 -0.0294 -0.0000
+ 0.000000 120 -0.4586 -0.1770
+ 0.000000 121 0.4473 0.1902
+ 0.000000 122 -0.0905 -0.0021
+ 0.000000 123 -0.1403 -0.0000
+ 0.000000 124 0.2080 0.0000
+ 0.000000 125 -0.0149 -0.0000
+ 0.000000 126 -0.0528 -0.0000
+ 0.000000 127 0.0540 0.0000
+ 0.000000 128 0.0130 -0.0000
+ 0.000000 129 -0.1666 -0.0000
+ 0.000000 130 0.1256 0.0000
+ 0.000000 131 0.0091 -0.0000
+ 0.000000 132 -0.4242 -0.0912
+ 0.000000 133 0.3932 0.0878
+ 0.000000 134 0.0241 0.0085
+ 0.000000 135 0.3415 0.0001
+ 0.000000 136 0.0598 0.0000
+ 0.000000 137 0.0175 0.0000
+ 0.000000 138 0.9032 0.5729
+ 0.000000 139 0.3194 0.0957
+ 0.000000 140 0.0087 -0.0371
+ 0.000000 141 0.7147 0.1712
+ 0.000000 142 -0.2856 -0.1158
+ 0.000000 143 0.1527 0.0525
+ 0.000000 144 0.3818 0.0000
+ 0.000000 145 -0.0933 0.0000
+ 0.000000 146 0.0210 0.0000
+ 0.000000 147 0.1934 0.0000
+ 0.000000 148 0.0627 -0.0000
+ 0.000000 149 -0.0140 -0.0000
+ 0.000000 150 0.8504 0.5189
+ 0.000000 151 0.2858 0.1916
+ 0.000000 152 -0.0922 0.1859
+ 0.000000 153 0.8571 0.1830
+ 0.000000 154 -0.2699 -0.0839
+ 0.000000 155 -0.0370 0.0268
+ 0.000000 156 0.1594 0.0000
+ 0.000000 157 -0.0877 -0.0000
+ 0.000000 158 -0.0360 -0.0000
+ 0.000000 159 0.2899 0.0001
+ 0.000000 160 0.0351 -0.0000
+ 0.000000 161 -0.0119 -0.0000
+ 0.000000 162 0.7163 0.3761
+ 0.000000 163 0.1261 0.0182
+ 0.000000 164 0.0712 0.0842
+ 0.000000 165 0.6206 0.3723
+ 0.000000 166 -0.3722 -0.3508
+ 0.000000 167 -0.1478 -0.1459
+ 0.000000 168 0.3266 0.0000
+ 0.000000 169 -0.1100 -0.0000
+ 0.000000 170 0.0297 -0.0000
+ 0.000000 171 0.0834 0.0000
+ 0.000000 172 -0.1280 -0.0000
+ 0.000000 173 0.0307 0.0000
+ 0.000000 174 0.4551 0.1114
+ 0.000000 175 -0.4582 -0.1049
+ 0.000000 176 0.0434 -0.0007
+ 0.000000 177 0.1191 0.0000
+ 0.000000 178 -0.0161 -0.0000
+ 0.000000 179 0.0321 0.0000
+ 0.000000 180 0.0223 0.0000
+ 0.000000 181 -0.0506 -0.0000
+ 0.000000 182 0.0138 -0.0000
+ 0.000000 183 0.1417 0.0000
+ 0.000000 184 -0.1581 -0.0000
+ 0.000000 185 -0.0071 0.0000
+ 0.000000 186 0.4073 0.1702
+ 0.000000 187 -0.4679 -0.1878
+ 0.000000 188 -0.0971 -0.0036
+ 0.000000 189 0.1486 0.0000
+ 0.000000 190 -0.2072 -0.0000
+ 0.000000 191 -0.0145 -0.0000
+ 0.000000 192 0.0478 0.0000
+ 0.000000 193 -0.0101 -0.0000
+ 0.000000 194 -0.0226 0.0000
+ 0.000000 195 0.0977 0.0000
+ 0.000000 196 -0.1254 -0.0000
+ 0.000000 197 -0.0133 -0.0000
+ 0.000000 198 0.2620 0.0000
+ 0.000000 199 -0.3188 -0.0000
+ 0.000000 200 0.0718 0.0000
+ 0.000000 201 0.1032 0.0000
+ 0.000000 202 -0.1908 -0.0000
+ 0.000000 203 -0.0142 -0.0000
+ 0.000000 204 0.0292 0.0000
+ 0.000000 205 -0.0736 -0.0000
+ 0.000000 206 0.0124 0.0000
+ 0.000000 207 0.0715 0.0000
+ 0.000000 208 0.0641 0.0000
+ 0.000000 209 0.0125 -0.0000
+ 0.000000 210 0.1531 0.0000
+ 0.000000 211 0.1179 0.0000
+ 0.000000 212 0.0142 0.0000
+ 0.000000 213 0.4328 0.0612
+ 0.000000 214 0.3977 0.0596
+ 0.000000 215 0.0449 -0.0052
+ 0.000000 216 0.1509 0.0000
+ 0.000000 217 0.1543 0.0000
+ 0.000000 218 -0.0050 -0.0000
+ 0.000000 219 27.2276 4.0959
+ 0.000000 220 -2.7210 -0.5727
+ 0.000000 221 -0.0063 -0.0506
+ 0.000000 222 -2.7210 -0.5727
+ 0.000000 223 21.2405 3.3478
+ 0.000000 224 -0.2061 -0.1358
+ 0.000000 225 -0.0063 -0.0506
+ 0.000000 226 -0.2061 -0.1358
+ 0.000000 227 18.6484 3.2887
+ 0.050000 0 -1.0934 -0.8874
+ 0.050000 1 -0.2438 -0.0471
+ 0.050000 2 0.0868 -0.0453
+ 0.050000 3 0.7016 0.9150
+ 0.050000 4 -0.6333 -0.7489
+ 0.050000 5 0.0960 -0.3982
+ 0.050000 6 0.3195 0.1820
+ 0.050000 7 -0.1363 -0.1547
+ 0.050000 8 0.2525 0.0424
+ 0.050000 9 -1.0638 -0.1625
+ 0.050000 10 -0.1283 -0.1267
+ 0.050000 11 0.0548 0.1733
+ 0.050000 12 -0.6583 -0.4109
+ 0.050000 13 -0.2239 -0.1595
+ 0.050000 14 -0.0668 -0.2072
+ 0.050000 15 -0.0009 0.0245
+ 0.050000 16 -0.9168 -0.5182
+ 0.050000 17 -0.2318 -0.0680
+ 0.050000 18 0.2980 -0.1280
+ 0.050000 19 -0.2101 -0.1369
+ 0.050000 20 -0.1199 -0.0508
+ 0.050000 21 -1.0721 -0.5740
+ 0.050000 22 -0.2186 -0.2229
+ 0.050000 23 -0.1215 -0.1278
+ 0.050000 24 -0.7472 -0.8543
+ 0.050000 25 -0.2345 0.3227
+ 0.050000 26 0.0407 -0.0700
+ 0.050000 27 -0.0156 0.2246
+ 0.050000 28 -0.8181 -0.3358
+ 0.050000 29 0.0940 0.2708
+ 0.050000 30 -0.0594 0.0000
+ 0.050000 31 0.3444 0.0000
+ 0.050000 32 -0.0448 -0.0000
+ 0.050000 33 -0.2816 -0.0438
+ 0.050000 34 0.9458 0.6336
+ 0.050000 35 -0.1242 -0.2983
+ 0.050000 36 0.1905 0.0526
+ 0.050000 37 0.8189 0.1478
+ 0.050000 38 -0.0887 0.0294
+ 0.050000 39 0.0536 -0.0000
+ 0.050000 40 0.2021 0.0000
+ 0.050000 41 0.0165 -0.0000
+ 0.050000 42 -0.0826 -0.0000
+ 0.050000 43 0.2674 0.0000
+ 0.050000 44 0.0435 0.0000
+ 0.050000 45 -0.2636 -0.0109
+ 0.050000 46 0.6898 0.1701
+ 0.050000 47 -0.0732 -0.0976
+ 0.050000 48 0.2214 0.1489
+ 0.050000 49 0.7622 0.4011
+ 0.050000 50 0.0586 -0.0656
+ 0.050000 51 -0.8572 -0.9778
+ 0.050000 52 0.3873 0.3060
+ 0.050000 53 0.2269 0.5569
+ 0.050000 54 -0.3627 -0.0004
+ 0.050000 55 0.1164 0.0000
+ 0.050000 56 0.0013 -0.0001
+ 0.050000 57 -0.1303 -0.0000
+ 0.050000 58 -0.0751 0.0000
+ 0.050000 59 0.0714 0.0000
+ 0.050000 60 -0.8990 -0.3022
+ 0.050000 61 -0.2451 -0.1545
+ 0.050000 62 0.0370 -0.0162
+ 0.050000 63 0.6143 0.3588
+ 0.050000 64 0.5283 0.4933
+ 0.050000 65 -0.0909 -0.0008
+ 0.050000 66 -0.0883 -0.0000
+ 0.050000 67 -0.1527 -0.0000
+ 0.050000 68 0.0137 0.0000
+ 0.050000 69 -0.0373 -0.0000
+ 0.050000 70 -0.1058 -0.0000
+ 0.050000 71 0.0271 0.0000
+ 0.050000 72 -0.1530 -0.0000
+ 0.050000 73 -0.1788 -0.0000
+ 0.050000 74 0.0157 -0.0000
+ 0.050000 75 -0.4110 -0.0415
+ 0.050000 76 -0.4371 -0.0448
+ 0.050000 77 -0.0741 -0.0044
+ 0.050000 78 -0.1071 -0.0000
+ 0.050000 79 -0.1363 -0.0000
+ 0.050000 80 -0.0599 -0.0000
+ 0.050000 81 -0.0507 -0.0000
+ 0.050000 82 -0.0289 -0.0000
+ 0.050000 83 -0.0136 -0.0000
+ 0.050000 84 -0.1122 -0.0000
+ 0.050000 85 -0.1422 -0.0000
+ 0.050000 86 -0.0596 -0.0000
+ 0.050000 87 -0.2162 -0.0000
+ 0.050000 88 -0.2714 -0.0000
+ 0.050000 89 -0.0370 -0.0000
+ 0.050000 90 -0.1652 -0.0000
+ 0.050000 91 -0.1336 -0.0000
+ 0.050000 92 0.0303 0.0000
+ 0.050000 93 -0.0291 -0.0000
+ 0.050000 94 -0.0400 -0.0000
+ 0.050000 95 0.0028 0.0000
+ 0.050000 96 -0.0957 -0.0000
+ 0.050000 97 0.0073 -0.0000
+ 0.050000 98 0.0240 0.0000
+ 0.050000 99 -0.1494 -0.0000
+ 0.050000 100 0.1753 0.0000
+ 0.050000 101 0.0117 0.0000
+ 0.050000 102 -0.0342 -0.0000
+ 0.050000 103 0.1054 0.0000
+ 0.050000 104 -0.0014 0.0000
+ 0.050000 105 -0.0799 -0.0000
+ 0.050000 106 0.1376 0.0000
+ 0.050000 107 0.0354 0.0000
+ 0.050000 108 -0.4827 -0.3446
+ 0.050000 109 0.5340 0.4186
+ 0.050000 110 0.0125 0.0157
+ 0.050000 111 -0.1387 -0.0000
+ 0.050000 112 0.1477 0.0000
+ 0.050000 113 -0.0364 -0.0000
+ 0.050000 114 -0.0147 -0.0000
+ 0.050000 115 0.0870 0.0000
+ 0.050000 116 -0.0144 0.0000
+ 0.050000 117 -0.2392 -0.0000
+ 0.050000 118 0.1786 0.0000
+ 0.050000 119 -0.0346 -0.0000
+ 0.050000 120 -0.4454 -0.1488
+ 0.050000 121 0.4459 0.1661
+ 0.050000 122 -0.1022 -0.0018
+ 0.050000 123 -0.1376 -0.0000
+ 0.050000 124 0.1927 0.0000
+ 0.050000 125 -0.0143 -0.0000
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+ 0.050000 127 0.0597 0.0000
+ 0.050000 128 0.0144 -0.0000
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+ 0.050000 130 0.1271 0.0000
+ 0.050000 131 0.0086 -0.0000
+ 0.050000 132 -0.4146 -0.0657
+ 0.050000 133 0.3777 0.0593
+ 0.050000 134 0.0621 0.0096
+ 0.050000 135 0.3595 0.0002
+ 0.050000 136 0.0693 0.0000
+ 0.050000 137 0.0149 0.0000
+ 0.050000 138 0.8883 0.7203
+ 0.050000 139 0.3599 0.1542
+ 0.050000 140 -0.0068 -0.0461
+ 0.050000 141 0.6992 0.1312
+ 0.050000 142 -0.2781 -0.0920
+ 0.050000 143 0.1411 0.0383
+ 0.050000 144 0.4164 0.0001
+ 0.050000 145 -0.1054 0.0000
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+ 0.050000 147 0.1711 0.0000
+ 0.050000 148 0.0526 -0.0000
+ 0.050000 149 -0.0145 -0.0000
+ 0.050000 150 0.8443 0.7206
+ 0.050000 151 0.3247 0.3538
+ 0.050000 152 -0.0580 0.3839
+ 0.050000 153 0.8250 0.1387
+ 0.050000 154 -0.2557 -0.0675
+ 0.050000 155 -0.0337 0.0247
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+ 0.050000 157 -0.0900 -0.0000
+ 0.050000 158 -0.0383 -0.0000
+ 0.050000 159 0.3753 0.0010
+ 0.050000 160 0.0246 -0.0001
+ 0.050000 161 -0.0138 -0.0000
+ 0.050000 162 0.7316 0.5658
+ 0.050000 163 0.1589 0.0568
+ 0.050000 164 0.0652 0.1702
+ 0.050000 165 0.5956 0.4792
+ 0.050000 166 -0.4306 -0.6144
+ 0.050000 167 -0.1531 -0.1978
+ 0.050000 168 0.3394 0.0000
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+ 0.050000 170 0.0271 -0.0000
+ 0.050000 171 0.0796 0.0000
+ 0.050000 172 -0.1303 -0.0000
+ 0.050000 173 0.0314 0.0000
+ 0.050000 174 0.4460 0.0967
+ 0.050000 175 -0.4552 -0.0907
+ 0.050000 176 0.0372 -0.0026
+ 0.050000 177 0.1177 0.0000
+ 0.050000 178 -0.0038 -0.0000
+ 0.050000 179 0.0507 0.0000
+ 0.050000 180 0.0265 0.0000
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+ 0.050000 182 0.0118 -0.0000
+ 0.050000 183 0.1424 0.0000
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+ 0.050000 185 -0.0088 0.0000
+ 0.050000 186 0.3903 0.1618
+ 0.050000 187 -0.4831 -0.1990
+ 0.050000 188 -0.1039 -0.0128
+ 0.050000 189 0.1487 0.0000
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+ 0.050000 191 -0.0183 -0.0000
+ 0.050000 192 0.0463 0.0000
+ 0.050000 193 -0.0340 -0.0000
+ 0.050000 194 -0.0224 0.0000
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+ 0.050000 196 -0.1299 -0.0000
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+ 0.050000 209 0.0116 -0.0000
+ 0.050000 210 0.1455 0.0000
+ 0.050000 211 0.1101 0.0000
+ 0.050000 212 0.0071 0.0000
+ 0.050000 213 0.4113 0.0310
+ 0.050000 214 0.3804 0.0301
+ 0.050000 215 0.0302 -0.0038
+ 0.050000 216 0.1213 0.0000
+ 0.050000 217 0.1587 0.0000
+ 0.050000 218 0.0200 -0.0000
+ 0.050000 219 27.0307 4.2739
+ 0.050000 220 -3.0926 -0.5006
+ 0.050000 221 0.0270 0.0342
+ 0.050000 222 -3.0926 -0.5006
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+ 0.400000 131 0.0077 -0.0000
+ 0.400000 132 -0.3924 -0.0312
+ 0.400000 133 0.3607 0.0250
+ 0.400000 134 0.0360 0.0041
+ 0.400000 135 0.2649 0.0002
+ 0.400000 136 0.0881 0.0000
+ 0.400000 137 0.0054 0.0000
+ 0.400000 138 0.8420 0.5469
+ 0.400000 139 0.4235 0.2067
+ 0.400000 140 -0.0420 -0.1844
+ 0.400000 141 0.7733 0.7838
+ 0.400000 142 -0.3674 -0.3712
+ 0.400000 143 0.1960 0.4676
+ 0.400000 144 0.4687 0.0023
+ 0.400000 145 -0.1291 -0.0001
+ 0.400000 146 0.0166 -0.0001
+ 0.400000 147 0.1944 0.0000
+ 0.400000 148 0.0786 0.0000
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+ 0.400000 150 0.7947 0.7859
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+ 0.400000 152 -0.0116 0.4212
+ 0.400000 153 0.8781 0.5724
+ 0.400000 154 -0.2805 -0.2210
+ 0.400000 155 -0.0073 0.1737
+ 0.400000 156 0.0916 0.0000
+ 0.400000 157 -0.0932 -0.0000
+ 0.400000 158 -0.0319 -0.0000
+ 0.400000 159 0.3377 0.0111
+ 0.400000 160 -0.0032 -0.0019
+ 0.400000 161 -0.0170 -0.0008
+ 0.400000 162 0.7611 1.1577
+ 0.400000 163 0.2387 0.2913
+ 0.400000 164 0.0095 -0.4654
+ 0.400000 165 0.5260 0.3082
+ 0.400000 166 -0.4821 -0.4105
+ 0.400000 167 -0.1556 -0.2426
+ 0.400000 168 0.2797 0.0000
+ 0.400000 169 -0.1485 -0.0000
+ 0.400000 170 0.0113 -0.0000
+ 0.400000 171 0.0852 0.0000
+ 0.400000 172 -0.1516 -0.0000
+ 0.400000 173 0.0581 0.0000
+ 0.400000 174 0.4092 0.0817
+ 0.400000 175 -0.4831 -0.0987
+ 0.400000 176 0.0464 -0.0010
+ 0.400000 177 0.1116 0.0000
+ 0.400000 178 -0.0466 -0.0000
+ 0.400000 179 0.0417 0.0000
+ 0.400000 180 0.0349 0.0000
+ 0.400000 181 -0.1059 -0.0000
+ 0.400000 182 0.0131 -0.0000
+ 0.400000 183 0.1850 0.0000
+ 0.400000 184 -0.1901 -0.0000
+ 0.400000 185 -0.0137 0.0000
+ 0.400000 186 0.3555 0.1294
+ 0.400000 187 -0.4765 -0.1767
+ 0.400000 188 -0.1016 -0.0383
+ 0.400000 189 0.1565 0.0000
+ 0.400000 190 -0.2790 -0.0000
+ 0.400000 191 -0.0248 -0.0000
+ 0.400000 192 0.0441 0.0000
+ 0.400000 193 -0.0693 -0.0000
+ 0.400000 194 -0.0199 -0.0000
+ 0.400000 195 0.0833 0.0000
+ 0.400000 196 -0.1347 -0.0000
+ 0.400000 197 -0.0109 -0.0000
+ 0.400000 198 0.2463 0.0000
+ 0.400000 199 -0.3507 -0.0000
+ 0.400000 200 0.0909 0.0000
+ 0.400000 201 0.1018 0.0000
+ 0.400000 202 -0.2065 -0.0000
+ 0.400000 203 -0.0155 -0.0000
+ 0.400000 204 0.0277 0.0000
+ 0.400000 205 -0.0471 -0.0000
+ 0.400000 206 0.0148 0.0000
+ 0.400000 207 0.0560 0.0000
+ 0.400000 208 0.0674 0.0000
+ 0.400000 209 0.0066 -0.0000
+ 0.400000 210 0.1238 0.0000
+ 0.400000 211 0.0784 0.0000
+ 0.400000 212 0.0022 -0.0000
+ 0.400000 213 0.3662 0.0140
+ 0.400000 214 0.3986 0.0165
+ 0.400000 215 0.0062 -0.0013
+ 0.400000 216 0.0988 0.0000
+ 0.400000 217 0.1701 0.0000
+ 0.400000 218 0.0114 -0.0000
+ 0.400000 219 26.4625 4.8483
+ 0.400000 220 -3.2451 0.2882
+ 0.400000 221 -0.1081 0.2466
+ 0.400000 222 -3.2451 0.2882
+ 0.400000 223 22.1814 4.4730
+ 0.400000 224 -0.2882 -0.2866
+ 0.400000 225 -0.1081 0.2466
+ 0.400000 226 -0.2882 -0.2866
+ 0.400000 227 18.8463 5.4854
+ 0.450000 0 -1.0688 -1.2948
+ 0.450000 1 -0.1586 0.3726
+ 0.450000 2 0.0751 -0.2474
+ 0.450000 3 0.7741 0.6681
+ 0.450000 4 -0.5485 0.0299
+ 0.450000 5 0.0539 -0.0260
+ 0.450000 6 0.5205 0.2005
+ 0.450000 7 -0.1917 -0.2539
+ 0.450000 8 0.1372 -0.0460
+ 0.450000 9 -1.3144 -1.1823
+ 0.450000 10 -0.0637 -0.2789
+ 0.450000 11 0.0411 -0.5208
+ 0.450000 12 -0.8641 -0.7763
+ 0.450000 13 -0.1984 0.1629
+ 0.450000 14 0.0620 0.1345
+ 0.450000 15 0.0371 -0.0233
+ 0.450000 16 -0.7657 -0.1518
+ 0.450000 17 -0.1987 -0.1056
+ 0.450000 18 0.2748 -0.3945
+ 0.450000 19 -0.2023 -0.2565
+ 0.450000 20 -0.0950 -0.0169
+ 0.450000 21 -1.1476 -0.9835
+ 0.450000 22 -0.1767 -0.4467
+ 0.450000 23 -0.2826 -0.7788
+ 0.450000 24 -0.5173 -0.6546
+ 0.450000 25 -0.3320 -0.3735
+ 0.450000 26 0.0894 0.7530
+ 0.450000 27 -0.0852 -0.4307
+ 0.450000 28 -0.9073 -0.8854
+ 0.450000 29 -0.1130 -0.1517
+ 0.450000 30 -0.0827 -0.0000
+ 0.450000 31 0.3522 0.0000
+ 0.450000 32 -0.0317 0.0000
+ 0.450000 33 -0.2342 0.0423
+ 0.450000 34 0.8903 0.3157
+ 0.450000 35 -0.0840 -0.1178
+ 0.450000 36 0.1382 -0.0050
+ 0.450000 37 0.7509 0.0369
+ 0.450000 38 -0.0182 0.0258
+ 0.450000 39 0.0248 -0.0000
+ 0.450000 40 0.2356 0.0000
+ 0.450000 41 0.0128 -0.0000
+ 0.450000 42 -0.1102 -0.0000
+ 0.450000 43 0.3853 0.0001
+ 0.450000 44 0.0085 0.0000
+ 0.450000 45 -0.2801 -0.0135
+ 0.450000 46 0.6245 0.0563
+ 0.450000 47 0.0071 0.0188
+ 0.450000 48 0.1579 0.3878
+ 0.450000 49 0.8142 1.2690
+ 0.450000 50 -0.0152 -0.1232
+ 0.450000 51 -0.7565 -0.3415
+ 0.450000 52 0.3371 0.2677
+ 0.450000 53 0.2248 0.1600
+ 0.450000 54 -0.4823 -0.0355
+ 0.450000 55 0.1829 0.0077
+ 0.450000 56 0.0139 -0.0020
+ 0.450000 57 -0.1297 -0.0000
+ 0.450000 58 -0.0556 0.0000
+ 0.450000 59 0.0903 -0.0000
+ 0.450000 60 -0.8799 -0.6088
+ 0.450000 61 -0.2022 -0.4131
+ 0.450000 62 0.0595 0.0586
+ 0.450000 63 0.5583 0.3644
+ 0.450000 64 0.4270 0.9686
+ 0.450000 65 -0.1026 0.0827
+ 0.450000 66 -0.0741 -0.0000
+ 0.450000 67 -0.1689 -0.0000
+ 0.450000 68 0.0141 0.0000
+ 0.450000 69 -0.0576 -0.0000
+ 0.450000 70 -0.1287 -0.0000
+ 0.450000 71 0.0308 -0.0000
+ 0.450000 72 -0.1443 -0.0000
+ 0.450000 73 -0.2479 -0.0000
+ 0.450000 74 0.0142 -0.0000
+ 0.450000 75 -0.3583 -0.0125
+ 0.450000 76 -0.4177 -0.0151
+ 0.450000 77 -0.0774 -0.0022
+ 0.450000 78 -0.0424 -0.0000
+ 0.450000 79 -0.1384 -0.0000
+ 0.450000 80 -0.0330 -0.0000
+ 0.450000 81 -0.0410 -0.0000
+ 0.450000 82 -0.0610 -0.0000
+ 0.450000 83 -0.0135 -0.0000
+ 0.450000 84 -0.0976 -0.0000
+ 0.450000 85 -0.0842 -0.0000
+ 0.450000 86 -0.0506 -0.0000
+ 0.450000 87 -0.2221 -0.0000
+ 0.450000 88 -0.2734 -0.0000
+ 0.450000 89 -0.0493 -0.0000
+ 0.450000 90 -0.1246 -0.0000
+ 0.450000 91 -0.1346 -0.0000
+ 0.450000 92 0.0579 0.0000
+ 0.450000 93 -0.0200 -0.0000
+ 0.450000 94 -0.0444 -0.0000
+ 0.450000 95 0.0021 0.0000
+ 0.450000 96 -0.0944 -0.0000
+ 0.450000 97 -0.0409 -0.0000
+ 0.450000 98 0.0493 0.0000
+ 0.450000 99 -0.1353 -0.0000
+ 0.450000 100 0.1208 0.0000
+ 0.450000 101 0.0123 0.0000
+ 0.450000 102 -0.0381 -0.0000
+ 0.450000 103 0.1149 0.0000
+ 0.450000 104 -0.0003 0.0000
+ 0.450000 105 -0.0604 -0.0000
+ 0.450000 106 0.1465 0.0000
+ 0.450000 107 0.0488 0.0000
+ 0.450000 108 -0.3741 -0.1009
+ 0.450000 109 0.5021 0.1785
+ 0.450000 110 0.0412 0.0340
+ 0.450000 111 -0.1196 -0.0000
+ 0.450000 112 0.1513 0.0000
+ 0.450000 113 -0.0365 -0.0000
+ 0.450000 114 -0.0120 -0.0000
+ 0.450000 115 0.1072 0.0000
+ 0.450000 116 -0.0028 -0.0000
+ 0.450000 117 -0.2072 -0.0000
+ 0.450000 118 0.2196 0.0000
+ 0.450000 119 -0.0245 -0.0000
+ 0.450000 120 -0.3553 -0.0107
+ 0.450000 121 0.3848 0.0138
+ 0.450000 122 -0.0997 0.0001
+ 0.450000 123 -0.1335 -0.0000
+ 0.450000 124 0.1913 0.0000
+ 0.450000 125 -0.0116 -0.0000
+ 0.450000 126 -0.0210 -0.0000
+ 0.450000 127 0.0665 0.0000
+ 0.450000 128 0.0119 -0.0000
+ 0.450000 129 -0.0248 -0.0000
+ 0.450000 130 0.1209 0.0000
+ 0.450000 131 0.0072 -0.0000
+ 0.450000 132 -0.3740 -0.0162
+ 0.450000 133 0.3509 0.0125
+ 0.450000 134 0.0337 0.0018
+ 0.450000 135 0.2888 0.0004
+ 0.450000 136 0.0998 0.0000
+ 0.450000 137 0.0413 -0.0000
+ 0.450000 138 0.8278 0.4932
+ 0.450000 139 0.4135 0.1871
+ 0.450000 140 -0.0555 -0.1861
+ 0.450000 141 0.8122 1.5557
+ 0.450000 142 -0.3895 -0.5945
+ 0.450000 143 0.2360 1.1060
+ 0.450000 144 0.4684 0.0033
+ 0.450000 145 -0.1304 -0.0001
+ 0.450000 146 0.0075 -0.0004
+ 0.450000 147 0.2097 0.0000
+ 0.450000 148 0.0965 0.0000
+ 0.450000 149 -0.0175 -0.0000
+ 0.450000 150 0.7621 0.6442
+ 0.450000 151 0.4293 0.4553
+ 0.450000 152 0.0061 0.3801
+ 0.450000 153 0.8969 0.9878
+ 0.450000 154 -0.2987 -0.3630
+ 0.450000 155 -0.0008 0.3704
+ 0.450000 156 0.0757 0.0000
+ 0.450000 157 -0.0907 -0.0000
+ 0.450000 158 -0.0361 -0.0000
+ 0.450000 159 0.3451 0.0158
+ 0.450000 160 -0.0104 -0.0033
+ 0.450000 161 -0.0193 -0.0015
+ 0.450000 162 0.7423 0.9706
+ 0.450000 163 0.2763 0.3169
+ 0.450000 164 -0.0028 -0.4441
+ 0.450000 165 0.5145 0.2987
+ 0.450000 166 -0.4770 -0.3219
+ 0.450000 167 -0.1681 -0.3199
+ 0.450000 168 0.1861 0.0000
+ 0.450000 169 -0.1439 -0.0000
+ 0.450000 170 0.0293 -0.0000
+ 0.450000 171 0.1011 0.0000
+ 0.450000 172 -0.1659 -0.0000
+ 0.450000 173 0.0625 0.0000
+ 0.450000 174 0.4139 0.1323
+ 0.450000 175 -0.5003 -0.1674
+ 0.450000 176 0.0460 -0.0063
+ 0.450000 177 0.1152 0.0000
+ 0.450000 178 -0.0677 -0.0000
+ 0.450000 179 0.0494 0.0000
+ 0.450000 180 0.0426 0.0000
+ 0.450000 181 -0.1155 -0.0000
+ 0.450000 182 0.0143 -0.0000
+ 0.450000 183 0.1689 0.0000
+ 0.450000 184 -0.1952 -0.0000
+ 0.450000 185 -0.0165 0.0000
+ 0.450000 186 0.3472 0.1082
+ 0.450000 187 -0.4538 -0.1415
+ 0.450000 188 -0.0962 -0.0289
+ 0.450000 189 0.1599 0.0000
+ 0.450000 190 -0.2827 -0.0000
+ 0.450000 191 -0.0158 0.0000
+ 0.450000 192 0.0482 0.0000
+ 0.450000 193 -0.0739 -0.0000
+ 0.450000 194 -0.0152 -0.0000
+ 0.450000 195 0.0757 0.0000
+ 0.450000 196 -0.1321 -0.0000
+ 0.450000 197 -0.0100 -0.0000
+ 0.450000 198 0.2501 0.0000
+ 0.450000 199 -0.3319 -0.0000
+ 0.450000 200 0.0871 0.0000
+ 0.450000 201 0.0981 0.0000
+ 0.450000 202 -0.0929 -0.0000
+ 0.450000 203 -0.0158 -0.0000
+ 0.450000 204 0.0302 0.0000
+ 0.450000 205 -0.0169 -0.0000
+ 0.450000 206 0.0133 0.0000
+ 0.450000 207 0.0568 0.0000
+ 0.450000 208 0.0592 0.0000
+ 0.450000 209 0.0047 -0.0000
+ 0.450000 210 0.1197 0.0000
+ 0.450000 211 0.0768 0.0000
+ 0.450000 212 0.0025 -0.0000
+ 0.450000 213 0.3473 0.0114
+ 0.450000 214 0.4102 0.0149
+ 0.450000 215 0.0016 -0.0003
+ 0.450000 216 0.0948 0.0000
+ 0.450000 217 0.1736 0.0000
+ 0.450000 218 0.0088 -0.0000
+ 0.450000 219 26.2857 5.4070
+ 0.450000 220 -3.0268 0.1261
+ 0.450000 221 -0.2132 0.7159
+ 0.450000 222 -3.0268 0.1261
+ 0.450000 223 22.3262 4.5287
+ 0.450000 224 -0.3165 0.0496
+ 0.450000 225 -0.2132 0.7159
+ 0.450000 226 -0.3165 0.0496
+ 0.450000 227 18.8466 5.5754
diff --git a/regtest/basic/rt-mpi3/plumed.dat.0 b/regtest/basic/rt-mpi3/plumed.dat.0
index e20d3957789c1394acb18d7f7bdb9e20e21181bc..e6f4b99f2ed385705459391460522147db2eec2c 100644
--- a/regtest/basic/rt-mpi3/plumed.dat.0
+++ b/regtest/basic/rt-mpi3/plumed.dat.0
@@ -5,9 +5,9 @@ c2: COM ATOMS=g2
c: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={RATIONAL R_0=1.0}
cexp: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={EXP R_0=0.7}
-cexpn: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={EXP R_0=0.7} NUMERICAL_DERIVATIVES
+#cexpn: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={EXP R_0=0.7} NUMERICAL_DERIVATIVES
cgaus: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={GAUSSIAN R_0=0.2 D_0=0.6}
-cgausn: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={GAUSSIAN R_0=0.2 D_0=0.6} NUMERICAL_DERIVATIVES
+#cgausn: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={GAUSSIAN R_0=0.2 D_0=0.6} NUMERICAL_DERIVATIVES
dist: DISTANCE ATOMS=c1,c2
dip: DIPOLE GROUP=1-10
@@ -15,7 +15,7 @@ dip2: DIPOLE GROUP=1,108
xxx: DISTANCE ATOMS=1,2
-DUMPDERIVATIVES ARG=cexp,cexpn,cgaus,cgausn FILE=deriv FMT=%8.4f
+DUMPDERIVATIVES ARG=cexp,cgaus FILE=deriv FMT=%8.4f
RESTRAINT ARG=c AT=10 KAPPA=5.0
diff --git a/regtest/basic/rt64-mpi/COLVAR.0.reference b/regtest/basic/rt64-mpi/COLVAR.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a92e78a4f07a51b1518715bab11fceec650f4a21
--- /dev/null
+++ b/regtest/basic/rt64-mpi/COLVAR.0.reference
@@ -0,0 +1,13 @@
+#! FIELDS time rdca rdcb
+ 0.000000 0.838821 0.410525
+ 0.050000 1.255792 0.348690
+ 0.100000 1.549145 -0.237545
+ 0.150000 1.981694 -0.074777
+ 0.200000 2.074654 -0.088270
+ 0.250000 2.071523 -0.019450
+ 0.300000 1.629174 0.093544
+ 0.350000 1.146355 -0.963512
+ 0.400000 1.331444 -0.344865
+ 0.450000 0.834073 0.344095
+ 0.500000 1.242164 0.078318
+ 0.550000 1.056101 -0.036882
diff --git a/regtest/basic/rt64-mpi/COLVAR.1.reference b/regtest/basic/rt64-mpi/COLVAR.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a92e78a4f07a51b1518715bab11fceec650f4a21
--- /dev/null
+++ b/regtest/basic/rt64-mpi/COLVAR.1.reference
@@ -0,0 +1,13 @@
+#! FIELDS time rdca rdcb
+ 0.000000 0.838821 0.410525
+ 0.050000 1.255792 0.348690
+ 0.100000 1.549145 -0.237545
+ 0.150000 1.981694 -0.074777
+ 0.200000 2.074654 -0.088270
+ 0.250000 2.071523 -0.019450
+ 0.300000 1.629174 0.093544
+ 0.350000 1.146355 -0.963512
+ 0.400000 1.331444 -0.344865
+ 0.450000 0.834073 0.344095
+ 0.500000 1.242164 0.078318
+ 0.550000 1.056101 -0.036882
diff --git a/regtest/basic/rt64-mpi/Makefile b/regtest/basic/rt64-mpi/Makefile
new file mode 100644
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/basic/rt64-mpi/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt64-mpi/ala12_trajectory.xyz.0 b/regtest/basic/rt64-mpi/ala12_trajectory.xyz.0
new file mode 100644
index 0000000000000000000000000000000000000000..ddf508adda823167b0ab6b2a0e0bdd87cdbf3fa4
--- /dev/null
+++ b/regtest/basic/rt64-mpi/ala12_trajectory.xyz.0
@@ -0,0 +1,1608 @@
+132
+ 100. 100. 100.
+HH31 -0.9105 -0.2402 2.1804
+CH3 -0.893 -0.3352 2.2308
+HH32 -0.9504 -0.3501 2.3223
+HH33 -0.9067 -0.4173 2.1604
+C -0.745 -0.3303 2.2659
+O -0.6909 -0.2213 2.2834
+N -0.6812 -0.4475 2.2683
+H -0.7324 -0.5304 2.2418
+CA -0.5397 -0.4597 2.2969
+HA -0.4882 -0.386 2.2353
+CB -0.5075 -0.4366 2.4443
+HB1 -0.401 -0.4351 2.4674
+HB2 -0.5438 -0.5144 2.5114
+HB3 -0.5561 -0.3425 2.4701
+C -0.4909 -0.5948 2.2466
+O -0.4728 -0.6129 2.1264
+N -0.4848 -0.6965 2.3328
+H -0.5121 -0.679 2.4285
+CA -0.4722 -0.8399 2.3159
+HA -0.3768 -0.8522 2.2645
+CB -0.4609 -0.909 2.4515
+HB1 -0.376 -0.8709 2.5082
+HB2 -0.451 -1.0142 2.4246
+HB3 -0.5489 -0.9125 2.5158
+C -0.5753 -0.906 2.2256
+O -0.5359 -0.9754 2.1321
+N -0.7036 -0.8865 2.2568
+H -0.704 -0.8063 2.3182
+CA -0.8201 -0.9234 2.1789
+HA -0.7869 -0.9845 2.0949
+CB -0.9165 -0.9957 2.2726
+HB1 -0.8633 -1.0787 2.319
+HB2 -1.0099 -1.0329 2.2305
+HB3 -0.94 -0.9257 2.3527
+C -0.8724 -0.7907 2.1258
+O -0.8269 -0.6846 2.1676
+N -0.9566 -0.7899 2.0221
+H -0.963 -0.8819 1.981
+CA -0.9923 -0.6793 1.9356
+HA -1.0138 -0.5948 2.0009
+CB -0.8791 -0.6404 1.8409
+HB1 -0.8531 -0.7143 1.7651
+HB2 -0.7859 -0.629 1.8963
+HB3 -0.8983 -0.5483 1.7859
+C -1.1178 -0.7047 1.8532
+O -1.1516 -0.8217 1.8366
+N -1.1927 -0.6054 1.8049
+H -1.1603 -0.5097 1.8052
+CA -1.324 -0.6259 1.7469
+HA -1.3121 -0.716 1.6866
+CB -1.4367 -0.6396 1.8489
+HB1 -1.5329 -0.6504 1.799
+HB2 -1.4356 -0.5552 1.9178
+HB3 -1.4135 -0.7227 1.9155
+C -1.3632 -0.5087 1.6582
+O -1.3364 -0.3936 1.6918
+N -1.4207 -0.5433 1.5428
+H -1.4289 -0.644 1.5399
+CA -1.4898 -0.458 1.4482
+HA -1.5364 -0.3792 1.5074
+CB -1.3891 -0.38 1.3642
+HB1 -1.4478 -0.3098 1.3049
+HB2 -1.3232 -0.4434 1.3048
+HB3 -1.3289 -0.3155 1.4282
+C -1.5946 -0.517 1.3549
+O -1.7154 -0.5054 1.3744
+N -1.5477 -0.6023 1.2635
+H -1.4472 -0.6108 1.2571
+CA -1.6137 -0.7083 1.1902
+HA -1.7209 -0.703 1.2095
+CB -1.5913 -0.6901 1.0403
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diff --git a/regtest/basic/rt64-mpi/ala12_trajectory.xyz.1 b/regtest/basic/rt64-mpi/ala12_trajectory.xyz.1
new file mode 100644
index 0000000000000000000000000000000000000000..02944f23b33833783b3f7d2e728426804de29229
--- /dev/null
+++ b/regtest/basic/rt64-mpi/ala12_trajectory.xyz.1
@@ -0,0 +1,1608 @@
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+HB1 -0.6389 -1.3639 1.8566
+HB2 -0.8263 -1.366 1.8462
+HB3 -0.7422 -1.3204 1.9839
+C -0.631 -1.0955 1.9191
+O -0.6712 -1.0368 2.0193
+N -0.5013 -1.1065 1.8892
+H -0.4728 -1.155 1.8053
+CH3 -0.3883 -1.0506 1.9605
+HH31 -0.2998 -1.1048 1.927
+HH32 -0.4204 -1.0606 2.0642
+HH33 -0.3665 -0.9463 1.9372
+132
+ 100. 100. 100.
+HH31 -0.2637 -1.191 1.743
+CH3 -0.3635 -1.1482 1.7519
+HH32 -0.3546 -1.057 1.693
+HH33 -0.4262 -1.2246 1.7059
+C -0.4201 -1.1295 1.8919
+O -0.4586 -1.2241 1.9602
+N -0.4227 -1.0029 1.9343
+H -0.4181 -0.9332 1.8614
+CA -0.438 -0.9465 2.0669
+HA -0.4695 -1.0162 2.1445
+CB -0.2986 -0.8943 2.1008
+HB1 -0.2653 -0.824 2.0245
+HB2 -0.2259 -0.9754 2.0965
+HB3 -0.2968 -0.838 2.1941
+C -0.5398 -0.8336 2.0755
+O -0.6471 -0.8507 2.1329
+N -0.5097 -0.7196 2.0129
+H -0.4215 -0.712 1.9643
+CA -0.5984 -0.6051 2.0082
+HA -0.642 -0.5996 2.108
+CB -0.5265 -0.4755 1.9718
+HB1 -0.5971 -0.3925 1.9717
+HB2 -0.4895 -0.4935 1.8708
+HB3 -0.4388 -0.4555 2.0334
+C -0.7123 -0.6318 1.911
+O -0.7055 -0.594 1.7942
+N -0.8187 -0.682 1.9742
+H -0.8167 -0.7227 2.0666
+CA -0.9521 -0.6751 1.9182
+HA -0.9615 -0.7293 1.824
+CB -1.0504 -0.7354 2.0181
+HB1 -1.1534 -0.7336 1.9825
+HB2 -1.0653 -0.695 2.1182
+HB3 -1.0279 -0.842 2.023
+C -0.9955 -0.532 1.89
+O -1.0108 -0.4464 1.977
+N -1.0067 -0.5052 1.7597
+H -0.9631 -0.5624 1.6888
+CA -1.0814 -0.3923 1.708
+HA -1.0488 -0.3106 1.7724
+CB -1.0611 -0.3566 1.561
+HB1 -1.0679 -0.448 1.5019
+HB2 -0.9601 -0.3207 1.5413
+HB3 -1.1181 -0.2705 1.5264
+C -1.2309 -0.4053 1.7339
+O -1.3091 -0.4413 1.6461
+N -1.2709 -0.3939 1.8607
+H -1.1957 -0.3744 1.9253
+CA -1.3988 -0.4327 1.9166
+HA -1.3841 -0.4093 2.022
+CB -1.5088 -0.3402 1.8654
+HB1 -1.5338 -0.3638 1.7619
+HB2 -1.4835 -0.2342 1.8684
+HB3 -1.5985 -0.3465 1.9271
+C -1.4441 -0.5774 1.9033
+O -1.4503 -0.6482 2.0036
+N -1.4715 -0.6186 1.7793
+H -1.4626 -0.5372 1.7201
+CA -1.5071 -0.7513 1.7333
+HA -1.6151 -0.7619 1.7436
+CB -1.4759 -0.7411 1.5843
+HB1 -1.4939 -0.8247 1.5167
+HB2 -1.3747 -0.71 1.5582
+HB3 -1.5458 -0.6647 1.5504
+C -1.4497 -0.8668 1.8141
+O -1.3465 -0.9203 1.774
+N -1.5177 -0.9177 1.9171
+H -1.5989 -0.8637 1.9433
+CA -1.465 -0.9982 2.0255
+HA -1.397 -0.9276 2.0733
+CB -1.5768 -1.0336 2.1232
+HB1 -1.6022 -0.9401 2.1732
+HB2 -1.543 -1.094 2.2074
+HB3 -1.6595 -1.0806 2.07
+C -1.3934 -1.1253 1.9822
+O -1.4595 -1.2193 1.9385
+N -1.2601 -1.1288 1.9875
+H -1.2104 -1.0473 2.0205
+CA -1.1698 -1.2192 1.9191
+HA -1.0727 -1.1817 1.9515
+CB -1.1819 -1.3571 1.9835
+HB1 -1.1022 -1.4207 1.945
+HB2 -1.2806 -1.4028 1.9771
+HB3 -1.1731 -1.3605 2.0921
+C -1.171 -1.2239 1.767
+O -1.0654 -1.2244 1.7041
+N -1.2854 -1.1963 1.7039
+H -1.366 -1.2013 1.7645
+CA -1.3028 -1.1791 1.561
+HA -1.2884 -1.2749 1.511
+CB -1.4469 -1.1354 1.5358
+HB1 -1.4468 -1.0862 1.4385
+HB2 -1.4751 -1.0673 1.616
+HB3 -1.5196 -1.2162 1.5277
+C -1.2077 -1.0894 1.4832
+O -1.1786 -1.1077 1.3652
+N -1.1529 -0.9861 1.5476
+H -1.1715 -0.9727 1.646
+CA -1.0537 -0.8991 1.4876
+HA -1.0039 -0.9588 1.4112
+CB -1.1205 -0.7783 1.4226
+HB1 -1.216 -0.8125 1.3828
+HB2 -1.0611 -0.7277 1.3465
+HB3 -1.1309 -0.6985 1.4961
+C -0.9389 -0.8708 1.5834
+O -0.8899 -0.7582 1.5813
+N -0.8944 -0.9657 1.6662
+H -0.9364 -1.0561 1.65
+CA -0.7687 -0.97 1.7381
+HA -0.7754 -0.8936 1.8156
+CB -0.7537 -1.1028 1.8118
+HB1 -0.8511 -1.1364 1.8473
+HB2 -0.6935 -1.076 1.8987
+HB3 -0.7012 -1.1769 1.7514
+C -0.6498 -0.9403 1.6478
+O -0.6081 -1.0351 1.5816
+N -0.606 -0.8142 1.6465
+H -0.6529 -0.7435 1.7012
+CA -0.5186 -0.7611 1.5438
+HA -0.4936 -0.8404 1.4733
+CB -0.5865 -0.65 1.4641
+HB1 -0.6603 -0.6985 1.4002
+HB2 -0.518 -0.5912 1.4031
+HB3 -0.6215 -0.5891 1.5475
+C -0.3829 -0.7252 1.6026
+O -0.3638 -0.7477 1.7219
+N -0.2854 -0.6879 1.5193
+H -0.2984 -0.6733 1.4203
+CH3 -0.1566 -0.6516 1.575
+HH31 -0.1214 -0.7166 1.6551
+HH32 -0.1629 -0.5541 1.6234
+HH33 -0.0803 -0.6477 1.4973
+132
+ 100. 100. 100.
+HH31 -0.6273 -0.5386 2.1838
+CH3 -0.6973 -0.6222 2.1825
+HH32 -0.703 -0.6627 2.0815
+HH33 -0.6673 -0.7042 2.2477
+C -0.8385 -0.5779 2.218
+O -0.873 -0.4627 2.1925
+N -0.9174 -0.667 2.2784
+H -0.8874 -0.7633 2.2828
+CA -1.0496 -0.6326 2.3269
+HA -1.1041 -0.5873 2.2441
+CB -1.1275 -0.7572 2.3682
+HB1 -1.0867 -0.8416 2.3125
+HB2 -1.231 -0.7463 2.336
+HB3 -1.12 -0.7784 2.4748
+C -1.0443 -0.5283 2.4376
+O -1.1316 -0.4423 2.447
+N -0.9609 -0.5398 2.5412
+H -0.9109 -0.6273 2.5349
+CA -0.9534 -0.4466 2.6518
+HA -1.0489 -0.4026 2.6808
+CB -0.9081 -0.5272 2.7732
+HB1 -0.82 -0.5889 2.7552
+HB2 -0.9921 -0.5864 2.8095
+HB3 -0.8839 -0.4623 2.8573
+C -0.8648 -0.3285 2.6146
+O -0.7571 -0.3039 2.6685
+N -0.9098 -0.2681 2.5045
+H -0.9986 -0.3003 2.4687
+CA -0.8395 -0.1677 2.4272
+HA -0.8139 -0.0844 2.4927
+CB -0.7067 -0.2222 2.3754
+HB1 -0.7279 -0.3188 2.3295
+HB2 -0.6285 -0.2377 2.4498
+HB3 -0.6619 -0.1508 2.3063
+C -0.9372 -0.1133 2.3239
+O -0.9933 -0.0062 2.346
+N -0.9616 -0.1887 2.2165
+H -0.9302 -0.2846 2.2198
+CA -1.0352 -0.1497 2.0979
+HA -1.1016 -0.0693 2.1296
+CB -0.9289 -0.1017 1.9995
+HB1 -0.8834 -0.1892 1.953
+HB2 -0.8616 -0.0289 2.0449
+HB3 -0.9703 -0.0497 1.9131
+C -1.1344 -0.2572 2.0561
+O -1.2541 -0.2354 2.0736
+N -1.0892 -0.3756 2.0141
+H -0.991 -0.396 2.0019
+CA -1.1733 -0.4872 1.9757
+HA -1.2476 -0.5122 2.0515
+CB -1.2502 -0.4487 1.8496
+HB1 -1.3045 -0.3553 1.8641
+HB2 -1.3196 -0.5255 1.8152
+HB3 -1.1778 -0.4329 1.7697
+C -1.0856 -0.6055 1.9373
+O -0.9662 -0.5905 1.9123
+N -1.1481 -0.7235 1.9381
+H -1.2473 -0.7223 1.9565
+CA -1.0897 -0.8471 1.8899
+HA -0.9885 -0.8584 1.9286
+CB -1.1719 -0.9611 1.9494
+HB1 -1.2756 -0.944 1.9202
+HB2 -1.1707 -0.9564 2.0583
+HB3 -1.1446 -1.0634 1.9238
+C -1.0834 -0.8469 1.7378
+O -1.1354 -0.9399 1.6766
+N -1.0102 -0.7576 1.6707
+H -0.9737 -0.6845 1.73
+CA -1.0193 -0.7306 1.5286
+HA -1.1225 -0.7046 1.5048
+CB -0.9479 -0.5997 1.4962
+HB1 -0.842 -0.5957 1.5216
+HB2 -1.0067 -0.5281 1.5536
+HB3 -0.9622 -0.5826 1.3895
+C -0.9694 -0.8413 1.4368
+O -1.0441 -0.9133 1.371
+N -0.8379 -0.8633 1.4304
+H -0.7638 -0.8141 1.4783
+CA -0.7778 -0.9822 1.3734
+HA -0.7956 -0.9722 1.2663
+CB -0.6268 -0.969 1.3906
+HB1 -0.5655 -1.0524 1.3563
+HB2 -0.6007 -0.9561 1.4956
+HB3 -0.5859 -0.8874 1.3309
+C -0.8356 -1.1135 1.4243
+O -0.8497 -1.206 1.3446
+N -0.8677 -1.1272 1.5532
+H -0.848 -1.0541 1.62
+CA -0.9111 -1.2541 1.6079
+HA -0.8316 -1.3271 1.5925
+CB -0.9227 -1.2433 1.7597
+HB1 -0.9663 -1.3345 1.8004
+HB2 -1.0039 -1.1737 1.7809
+HB3 -0.8299 -1.2008 1.7978
+C -1.0426 -1.3057 1.5512
+O -1.0599 -1.4173 1.5026
+N -1.1411 -1.216 1.543
+H -1.1328 -1.1277 1.5914
+CA -1.2738 -1.2403 1.4902
+HA -1.3137 -1.3313 1.535
+CB -1.3597 -1.1237 1.5385
+HB1 -1.3433 -1.1114 1.6455
+HB2 -1.4618 -1.1565 1.5189
+HB3 -1.348 -1.0373 1.4731
+C -1.2747 -1.2495 1.3383
+O -1.3512 -1.3262 1.2802
+N -1.1922 -1.1707 1.269
+H -1.1237 -1.1077 1.3083
+CA -1.1513 -1.1982 1.1327
+HA -1.2372 -1.176 1.0693
+CB -1.0416 -1.1019 1.0881
+HB1 -1.034 -1.1113 0.9798
+HB2 -0.9443 -1.1358 1.1235
+HB3 -1.0724 -1.0009 1.1152
+C -1.0894 -1.3328 1.098
+O -1.1352 -1.3977 1.0042
+N -0.9896 -1.387 1.1682
+H -0.9408 -1.3202 1.226
+CA -0.9417 -1.5219 1.1456
+HA -0.9183 -1.533 1.0397
+CB -0.8119 -1.5322 1.2252
+HB1 -0.7397 -1.4552 1.1982
+HB2 -0.7645 -1.6289 1.2085
+HB3 -0.8257 -1.5162 1.3322
+C -1.0474 -1.6237 1.1859
+O -1.0773 -1.7205 1.1162
+N -1.0886 -1.6161 1.3126
+H -1.0569 -1.5344 1.3629
+CH3 -1.1572 -1.7212 1.385
+HH31 -1.195 -1.794 1.3133
+HH32 -1.2449 -1.6718 1.4269
+HH33 -1.087 -1.7662 1.4552
+132
+ 100. 100. 100.
+HH31 -0.2903 -0.4936 2.2511
+CH3 -0.3554 -0.4221 2.3013
+HH32 -0.3134 -0.3702 2.3875
+HH33 -0.3845 -0.3471 2.2278
+C -0.4693 -0.5062 2.3572
+O -0.4404 -0.6134 2.4099
+N -0.5902 -0.4497 2.3617
+H -0.606 -0.3656 2.3079
+CA -0.7023 -0.4967 2.4405
+HA -0.6978 -0.6055 2.4363
+CB -0.6758 -0.4641 2.5872
+HB1 -0.5739 -0.4911 2.6149
+HB2 -0.7353 -0.5343 2.6456
+HB3 -0.6909 -0.3588 2.611
+C -0.8361 -0.4435 2.3912
+O -0.8479 -0.4099 2.2736
+N -0.9318 -0.4365 2.484
+H -0.9173 -0.4698 2.5783
+CA -1.0652 -0.3821 2.4689
+HA -1.1217 -0.4317 2.5479
+CB -1.0601 -0.2317 2.494
+HB1 -1.1624 -0.1962 2.4817
+HB2 -0.9933 -0.1823 2.4235
+HB3 -1.0219 -0.2109 2.594
+C -1.1273 -0.4334 2.3397
+O -1.146 -0.5518 2.3125
+N -1.1584 -0.338 2.2517
+H -1.1465 -0.2436 2.2858
+CA -1.2114 -0.361 2.1188
+HA -1.2996 -0.4233 2.1335
+CB -1.2354 -0.2218 2.0611
+HB1 -1.2804 -0.2439 1.9642
+HB2 -1.1446 -0.1632 2.0471
+HB3 -1.2965 -0.1578 2.1247
+C -1.1097 -0.4227 2.0238
+O -1.145 -0.4982 1.9335
+N -0.983 -0.3817 2.0324
+H -0.9502 -0.3307 2.1133
+CA -0.8819 -0.4197 1.9358
+HA -0.9196 -0.3863 1.8391
+CB -0.7542 -0.337 1.9474
+HB1 -0.6826 -0.3634 1.8695
+HB2 -0.7092 -0.3472 2.0461
+HB3 -0.7687 -0.2325 1.92
+C -0.8642 -0.5708 1.9317
+O -0.8759 -0.627 1.8231
+N -0.8504 -0.6334 2.0489
+H -0.8457 -0.5752 2.1313
+CA -0.8501 -0.7758 2.0754
+HA -0.7596 -0.8264 2.0419
+CB -0.8502 -0.8017 2.2258
+HB1 -0.8422 -0.9104 2.2284
+HB2 -0.9411 -0.7669 2.2749
+HB3 -0.7644 -0.7542 2.2734
+C -0.9644 -0.8426 2.0003
+O -0.9443 -0.9298 1.9161
+N -1.088 -0.8017 2.0301
+H -1.0928 -0.7245 2.0951
+CA -1.2132 -0.8486 1.9741
+HA -1.2101 -0.9541 2.0013
+CB -1.3285 -0.7762 2.043
+HB1 -1.3551 -0.817 2.1405
+HB2 -1.4177 -0.7965 1.9837
+HB3 -1.3135 -0.6683 2.0477
+C -1.2179 -0.8401 1.8222
+O -1.2545 -0.938 1.7575
+N -1.1825 -0.7259 1.7628
+H -1.1632 -0.6471 1.823
+CA -1.1576 -0.7141 1.6206
+HA -1.252 -0.7467 1.5768
+CB -1.1186 -0.5684 1.5976
+HB1 -1.1223 -0.5491 1.4903
+HB2 -1.0201 -0.5462 1.6385
+HB3 -1.1878 -0.5004 1.6472
+C -1.0519 -0.8129 1.5735
+O -1.0699 -0.8821 1.4735
+N -0.9422 -0.8269 1.6483
+H -0.9334 -0.7637 1.7266
+CA -0.8342 -0.9176 1.615
+HA -0.797 -0.897 1.5146
+CB -0.7092 -0.9012 1.701
+HB1 -0.6274 -0.946 1.6446
+HB2 -0.7271 -0.9402 1.8012
+HB3 -0.688 -0.7949 1.7123
+C -0.8863 -1.0605 1.6093
+O -0.8634 -1.1312 1.5114
+N -0.9608 -1.1038 1.7113
+H -0.9734 -1.0496 1.7956
+CA -1.0241 -1.2339 1.7036
+HA -0.9468 -1.3089 1.6868
+CB -1.0865 -1.2775 1.8358
+HB1 -1.0134 -1.289 1.9159
+HB2 -1.1333 -1.3758 1.83
+HB3 -1.168 -1.2074 1.8536
+C -1.1252 -1.242 1.5902
+O -1.1313 -1.3381 1.5137
+N -1.2077 -1.1404 1.5641
+H -1.2028 -1.058 1.6224
+CA -1.324 -1.1571 1.4793
+HA -1.3825 -1.244 1.5092
+CB -1.4149 -1.0357 1.4962
+HB1 -1.4666 -1.0421 1.592
+HB2 -1.4958 -1.0505 1.4246
+HB3 -1.3665 -0.9383 1.4903
+C -1.2856 -1.171 1.3327
+O -1.3258 -1.2594 1.2572
+N -1.1988 -1.0808 1.2863
+H -1.1486 -1.0217 1.3509
+CA -1.1525 -1.0652 1.1498
+HA -1.2326 -1.086 1.079
+CB -1.1041 -0.9227 1.1245
+HB1 -1.0469 -0.9211 1.0317
+HB2 -1.0376 -0.8769 1.1977
+HB3 -1.1868 -0.8534 1.1089
+C -1.0402 -1.1612 1.1131
+O -1.0289 -1.1958 0.9957
+N -0.9564 -1.1942 1.2117
+H -0.98 -1.1503 1.2995
+CA -0.8413 -1.2797 1.191
+HA -0.8427 -1.3236 1.0913
+CB -0.7175 -1.1916 1.206
+HB1 -0.6353 -1.2626 1.2153
+HB2 -0.7221 -1.1471 1.3054
+HB3 -0.6859 -1.1207 1.1295
+C -0.8443 -1.4065 1.2751
+O -0.8599 -1.5134 1.2166
+N -0.8294 -1.4 1.4076
+H -0.8321 -1.3054 1.4429
+CH3 -0.8343 -1.5143 1.4966
+HH31 -0.9377 -1.534 1.5249
+HH32 -0.772 -1.496 1.5842
+HH33 -0.8059 -1.6078 1.4483
diff --git a/regtest/basic/rt64-mpi/config b/regtest/basic/rt64-mpi/config
new file mode 100644
index 0000000000000000000000000000000000000000..0c163ae82fa6e4afca829e0361e66d8688febbc1
--- /dev/null
+++ b/regtest/basic/rt64-mpi/config
@@ -0,0 +1,3 @@
+mpiprocs=2
+type=driver
+arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --multi 2"
diff --git a/regtest/basic/rt64-mpi/deriva.0.reference b/regtest/basic/rt64-mpi/deriva.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..88a675a4b139046f473a98553a2e5f468ac796b5
--- /dev/null
+++ b/regtest/basic/rt64-mpi/deriva.0.reference
@@ -0,0 +1,397 @@
+#! FIELDS time parameter rdca rdcan
+ 0.000000 0 0.045 -1.128
+ 0.000000 1 0.085 0.594
+ 0.000000 2 -1.782 -0.303
+ 0.000000 3 -0.045 1.128
+ 0.000000 4 -0.085 -0.594
+ 0.000000 5 1.782 0.303
+ 0.000000 6 -3.846 1.968
+ 0.000000 7 0.585 -4.048
+ 0.000000 8 3.509 1.941
+ 0.000000 9 3.846 -1.969
+ 0.000000 10 -0.585 4.048
+ 0.000000 11 -3.509 -1.941
+ 0.000000 12 0.893 1.811
+ 0.000000 13 0.670 -1.249
+ 0.000000 14 1.096 -0.440
+ 0.000000 15 -0.893 -1.811
+ 0.000000 16 -0.670 1.249
+ 0.000000 17 -1.096 0.440
+ 0.000000 18 -2.013 -3.232
+ 0.000000 19 -3.087 -2.864
+ 0.000000 20 1.564 -1.403
+ 0.000000 21 2.013 3.232
+ 0.000000 22 3.087 2.864
+ 0.000000 23 -1.564 1.402
+ 0.000000 24 0.263 0.275
+ 0.000000 25 -0.362 -0.147
+ 0.000000 26 -0.313 0.078
+ 0.000000 27 -0.362 -0.147
+ 0.000000 28 -0.380 -0.674
+ 0.000000 29 0.412 0.259
+ 0.000000 30 -0.286 0.495
+ 0.000000 31 -0.303 -1.062
+ 0.000000 32 0.552 0.429
+ 0.050000 0 -1.033 -1.002
+ 0.050000 1 0.027 0.087
+ 0.050000 2 1.074 -0.172
+ 0.050000 3 1.033 1.002
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+ 0.050000 5 -1.074 0.172
+ 0.050000 6 1.225 -7.626
+ 0.050000 7 -2.456 -1.111
+ 0.050000 8 11.055 19.129
+ 0.050000 9 -1.225 7.626
+ 0.050000 10 2.456 1.111
+ 0.050000 11 -11.055 -19.129
+ 0.050000 12 2.302 3.526
+ 0.050000 13 1.962 2.880
+ 0.050000 14 -1.159 0.343
+ 0.050000 15 -2.302 -3.526
+ 0.050000 16 -1.962 -2.880
+ 0.050000 17 1.159 -0.343
+ 0.050000 18 0.567 -1.401
+ 0.050000 19 0.046 -2.971
+ 0.050000 20 3.166 4.695
+ 0.050000 21 -0.567 1.401
+ 0.050000 22 -0.046 2.972
+ 0.050000 23 -3.166 -4.695
+ 0.050000 24 -0.258 0.620
+ 0.050000 25 0.018 -0.458
+ 0.050000 26 0.162 -0.818
+ 0.050000 27 0.018 -0.458
+ 0.050000 28 -0.356 -0.728
+ 0.050000 29 1.242 1.634
+ 0.050000 30 0.310 -0.095
+ 0.050000 31 0.097 -0.149
+ 0.050000 32 0.932 1.616
+ 0.100000 0 0.214 0.079
+ 0.100000 1 -0.237 -0.233
+ 0.100000 2 -0.154 -0.012
+ 0.100000 3 -0.214 -0.079
+ 0.100000 4 0.237 0.233
+ 0.100000 5 0.154 0.012
+ 0.100000 6 4.187 5.476
+ 0.100000 7 11.516 8.928
+ 0.100000 8 4.697 16.342
+ 0.100000 9 -4.187 -5.477
+ 0.100000 10 -11.516 -8.929
+ 0.100000 11 -4.697 -16.340
+ 0.100000 12 -0.282 3.417
+ 0.100000 13 0.225 3.378
+ 0.100000 14 -3.134 -4.995
+ 0.100000 15 0.282 -3.416
+ 0.100000 16 -0.225 -3.378
+ 0.100000 17 3.134 4.995
+ 0.100000 18 0.581 1.269
+ 0.100000 19 0.549 0.606
+ 0.100000 20 -4.094 -0.254
+ 0.100000 21 -0.581 -1.269
+ 0.100000 22 -0.549 -0.605
+ 0.100000 23 4.094 0.255
+ 0.100000 24 0.275 0.075
+ 0.100000 25 0.575 0.525
+ 0.100000 26 0.086 0.238
+ 0.100000 27 0.575 0.525
+ 0.100000 28 1.499 1.068
+ 0.100000 29 -0.144 1.209
+ 0.100000 30 0.077 0.678
+ 0.100000 31 0.097 0.338
+ 0.100000 32 0.542 1.370
+ 0.150000 0 0.544 0.002
+ 0.150000 1 -0.376 0.223
+ 0.150000 2 0.189 0.578
+ 0.150000 3 -0.544 -0.001
+ 0.150000 4 0.376 -0.223
+ 0.150000 5 -0.189 -0.578
+ 0.150000 6 -2.361 2.751
+ 0.150000 7 9.279 23.340
+ 0.150000 8 11.870 17.606
+ 0.150000 9 2.361 -2.752
+ 0.150000 10 -9.279 -23.341
+ 0.150000 11 -11.870 -17.606
+ 0.150000 12 0.476 -0.136
+ 0.150000 13 3.351 3.840
+ 0.150000 14 6.169 -0.636
+ 0.150000 15 -0.476 0.136
+ 0.150000 16 -3.351 -3.840
+ 0.150000 17 -6.169 0.636
+ 0.150000 18 1.909 2.265
+ 0.150000 19 2.119 2.455
+ 0.150000 20 -3.616 -6.117
+ 0.150000 21 -1.909 -2.265
+ 0.150000 22 -2.119 -2.455
+ 0.150000 23 3.616 6.117
+ 0.150000 24 0.056 0.426
+ 0.150000 25 -0.337 0.252
+ 0.150000 26 -0.096 0.588
+ 0.150000 27 -0.337 0.252
+ 0.150000 28 1.562 3.432
+ 0.150000 29 2.498 2.375
+ 0.150000 30 0.341 0.357
+ 0.150000 31 0.815 1.075
+ 0.150000 32 0.165 0.928
+ 0.200000 0 -0.088 0.022
+ 0.200000 1 0.095 0.019
+ 0.200000 2 -0.013 0.026
+ 0.200000 3 0.088 -0.022
+ 0.200000 4 -0.095 -0.019
+ 0.200000 5 0.013 -0.026
+ 0.200000 6 5.701 3.508
+ 0.200000 7 6.277 14.895
+ 0.200000 8 -11.223 -0.199
+ 0.200000 9 -5.701 -3.508
+ 0.200000 10 -6.277 -14.894
+ 0.200000 11 11.223 0.199
+ 0.200000 12 3.382 3.932
+ 0.200000 13 8.165 12.036
+ 0.200000 14 0.191 7.315
+ 0.200000 15 -3.382 -3.932
+ 0.200000 16 -8.165 -12.035
+ 0.200000 17 -0.191 -7.316
+ 0.200000 18 -1.312 0.675
+ 0.200000 19 0.368 2.573
+ 0.200000 20 1.733 -2.029
+ 0.200000 21 1.312 -0.675
+ 0.200000 22 -0.368 -2.573
+ 0.200000 23 -1.733 2.029
+ 0.200000 24 0.918 0.931
+ 0.200000 25 0.947 0.663
+ 0.200000 26 -1.248 -1.305
+ 0.200000 27 0.947 0.663
+ 0.200000 28 1.771 3.305
+ 0.200000 29 -0.954 1.590
+ 0.200000 30 -0.271 0.028
+ 0.200000 31 -0.227 0.649
+ 0.200000 32 0.523 0.656
+ 0.250000 0 -0.227 0.718
+ 0.250000 1 -0.196 -1.219
+ 0.250000 2 -0.848 -0.713
+ 0.250000 3 0.227 -0.718
+ 0.250000 4 0.196 1.219
+ 0.250000 5 0.848 0.712
+ 0.250000 6 -13.318 -7.308
+ 0.250000 7 1.550 8.169
+ 0.250000 8 7.812 -4.021
+ 0.250000 9 13.318 7.308
+ 0.250000 10 -1.550 -8.169
+ 0.250000 11 -7.812 4.022
+ 0.250000 12 -0.761 1.285
+ 0.250000 13 6.963 11.902
+ 0.250000 14 -0.606 -0.490
+ 0.250000 15 0.761 -1.285
+ 0.250000 16 -6.963 -11.902
+ 0.250000 17 0.606 0.490
+ 0.250000 18 -0.101 -2.153
+ 0.250000 19 0.065 0.640
+ 0.250000 20 -3.329 -0.617
+ 0.250000 21 0.101 2.153
+ 0.250000 22 -0.065 -0.640
+ 0.250000 23 3.329 0.618
+ 0.250000 24 1.747 2.663
+ 0.250000 25 -0.098 0.738
+ 0.250000 26 -1.375 -2.857
+ 0.250000 27 -0.098 0.738
+ 0.250000 28 -0.604 0.665
+ 0.250000 29 0.565 -0.399
+ 0.250000 30 -0.373 -0.844
+ 0.250000 31 0.885 0.812
+ 0.250000 32 0.441 1.017
+ 0.300000 0 0.509 0.416
+ 0.300000 1 -0.373 -0.454
+ 0.300000 2 -0.618 -0.967
+ 0.300000 3 -0.509 -0.416
+ 0.300000 4 0.373 0.454
+ 0.300000 5 0.618 0.967
+ 0.300000 6 8.059 -5.639
+ 0.300000 7 8.112 9.706
+ 0.300000 8 10.580 18.614
+ 0.300000 9 -8.059 5.638
+ 0.300000 10 -8.112 -9.707
+ 0.300000 11 -10.580 -18.615
+ 0.300000 12 -1.785 -1.998
+ 0.300000 13 0.432 2.386
+ 0.300000 14 0.138 -0.032
+ 0.300000 15 1.785 1.998
+ 0.300000 16 -0.432 -2.386
+ 0.300000 17 -0.138 0.032
+ 0.300000 18 1.839 1.751
+ 0.300000 19 0.519 0.576
+ 0.300000 20 2.809 -0.118
+ 0.300000 21 -1.839 -1.751
+ 0.300000 22 -0.519 -0.576
+ 0.300000 23 -2.809 0.118
+ 0.300000 24 0.278 2.064
+ 0.300000 25 0.729 0.559
+ 0.300000 26 0.615 -0.793
+ 0.300000 27 0.729 0.559
+ 0.300000 28 0.701 0.549
+ 0.300000 29 0.834 1.272
+ 0.300000 30 0.320 -0.006
+ 0.300000 31 0.301 0.574
+ 0.300000 32 0.541 0.973
+ 0.350000 0 0.145 0.707
+ 0.350000 1 0.106 -0.307
+ 0.350000 2 0.386 -0.296
+ 0.350000 3 -0.145 -0.707
+ 0.350000 4 -0.106 0.307
+ 0.350000 5 -0.386 0.296
+ 0.350000 6 5.448 8.531
+ 0.350000 7 -6.043 -2.940
+ 0.350000 8 -0.568 3.479
+ 0.350000 9 -5.448 -8.531
+ 0.350000 10 6.043 2.940
+ 0.350000 11 0.568 -3.479
+ 0.350000 12 2.219 -4.476
+ 0.350000 13 4.778 6.399
+ 0.350000 14 -1.790 -1.273
+ 0.350000 15 -2.219 4.475
+ 0.350000 16 -4.778 -6.400
+ 0.350000 17 1.790 1.273
+ 0.350000 18 -1.397 0.570
+ 0.350000 19 0.668 1.223
+ 0.350000 20 -3.827 -0.824
+ 0.350000 21 1.397 -0.570
+ 0.350000 22 -0.668 -1.223
+ 0.350000 23 3.827 0.824
+ 0.350000 24 0.065 -0.607
+ 0.350000 25 0.555 0.938
+ 0.350000 26 0.526 0.556
+ 0.350000 27 0.555 0.938
+ 0.350000 28 0.346 0.556
+ 0.350000 29 -0.508 -0.294
+ 0.350000 30 0.632 0.247
+ 0.350000 31 -0.750 -0.473
+ 0.350000 32 0.229 0.616
+ 0.400000 0 -0.647 -0.114
+ 0.400000 1 0.608 0.996
+ 0.400000 2 -1.441 -0.021
+ 0.400000 3 0.647 0.114
+ 0.400000 4 -0.608 -0.996
+ 0.400000 5 1.441 0.021
+ 0.400000 6 0.325 3.289
+ 0.400000 7 0.153 -3.135
+ 0.400000 8 3.032 2.723
+ 0.400000 9 -0.325 -3.290
+ 0.400000 10 -0.153 3.135
+ 0.400000 11 -3.032 -2.723
+ 0.400000 12 4.875 7.481
+ 0.400000 13 2.991 8.603
+ 0.400000 14 3.711 1.608
+ 0.400000 15 -4.875 -7.481
+ 0.400000 16 -2.991 -8.603
+ 0.400000 17 -3.711 -1.608
+ 0.400000 18 -0.344 -1.777
+ 0.400000 19 1.353 2.039
+ 0.400000 20 -3.367 -7.294
+ 0.400000 21 0.344 1.777
+ 0.400000 22 -1.353 -2.039
+ 0.400000 23 3.367 7.294
+ 0.400000 24 -0.596 -0.311
+ 0.400000 25 -0.194 0.299
+ 0.400000 26 -0.968 -0.320
+ 0.400000 27 -0.194 0.299
+ 0.400000 28 -0.448 0.210
+ 0.400000 29 0.265 -0.174
+ 0.400000 30 0.606 0.996
+ 0.400000 31 0.118 -0.339
+ 0.400000 32 1.028 1.360
+ 0.450000 0 -0.945 -1.615
+ 0.450000 1 0.014 0.643
+ 0.450000 2 1.387 -0.106
+ 0.450000 3 0.945 1.615
+ 0.450000 4 -0.014 -0.643
+ 0.450000 5 -1.387 0.106
+ 0.450000 6 1.956 2.185
+ 0.450000 7 -2.625 -2.517
+ 0.450000 8 0.808 2.942
+ 0.450000 9 -1.956 -2.185
+ 0.450000 10 2.625 2.517
+ 0.450000 11 -0.808 -2.942
+ 0.450000 12 2.184 6.548
+ 0.450000 13 -0.896 1.781
+ 0.450000 14 -4.870 -1.548
+ 0.450000 15 -2.184 -6.548
+ 0.450000 16 0.896 -1.781
+ 0.450000 17 4.870 1.548
+ 0.450000 18 1.512 1.291
+ 0.450000 19 -3.933 -3.065
+ 0.450000 20 1.338 -0.820
+ 0.450000 21 -1.512 -1.291
+ 0.450000 22 3.933 3.066
+ 0.450000 23 -1.338 0.820
+ 0.450000 24 0.314 -0.220
+ 0.450000 25 0.128 -0.046
+ 0.450000 26 -0.966 -1.761
+ 0.450000 27 0.128 -0.046
+ 0.450000 28 -0.451 -0.809
+ 0.450000 29 0.434 0.594
+ 0.450000 30 -0.597 -0.057
+ 0.450000 31 0.901 1.029
+ 0.450000 32 0.047 0.870
+ 0.500000 0 1.033 -0.145
+ 0.500000 1 0.085 0.102
+ 0.500000 2 -1.857 -0.127
+ 0.500000 3 -1.033 0.145
+ 0.500000 4 -0.085 -0.102
+ 0.500000 5 1.857 0.127
+ 0.500000 6 -0.326 -1.296
+ 0.500000 7 1.001 2.302
+ 0.500000 8 0.650 0.249
+ 0.500000 9 0.326 1.296
+ 0.500000 10 -1.001 -2.303
+ 0.500000 11 -0.650 -0.249
+ 0.500000 12 -0.351 2.537
+ 0.500000 13 2.037 0.852
+ 0.500000 14 -6.770 -13.212
+ 0.500000 15 0.351 -2.537
+ 0.500000 16 -2.037 -0.852
+ 0.500000 17 6.770 13.213
+ 0.500000 18 0.101 1.736
+ 0.500000 19 -0.004 -4.257
+ 0.500000 20 2.999 4.446
+ 0.500000 21 -0.101 -1.736
+ 0.500000 22 0.004 4.257
+ 0.500000 23 -2.999 -4.446
+ 0.500000 24 0.178 0.753
+ 0.500000 25 -0.065 -0.142
+ 0.500000 26 -0.627 -1.811
+ 0.500000 27 -0.065 -0.142
+ 0.500000 28 0.380 0.154
+ 0.500000 29 -0.890 -0.433
+ 0.500000 30 -0.003 -0.345
+ 0.500000 31 -0.211 0.319
+ 0.500000 32 0.674 0.938
+ 0.550000 0 -1.305 -0.253
+ 0.550000 1 0.567 0.653
+ 0.550000 2 1.646 -0.245
+ 0.550000 3 1.305 0.253
+ 0.550000 4 -0.567 -0.653
+ 0.550000 5 -1.646 0.245
+ 0.550000 6 -1.042 -1.312
+ 0.550000 7 0.830 1.658
+ 0.550000 8 0.281 0.819
+ 0.550000 9 1.042 1.312
+ 0.550000 10 -0.830 -1.658
+ 0.550000 11 -0.281 -0.819
+ 0.550000 12 1.814 1.672
+ 0.550000 13 -3.793 -2.969
+ 0.550000 14 -3.035 -5.771
+ 0.550000 15 -1.814 -1.672
+ 0.550000 16 3.793 2.969
+ 0.550000 17 3.035 5.772
+ 0.550000 18 -1.443 -1.292
+ 0.550000 19 0.263 0.258
+ 0.550000 20 -3.511 0.989
+ 0.550000 21 1.443 1.292
+ 0.550000 22 -0.263 -0.258
+ 0.550000 23 3.511 -0.989
+ 0.550000 24 0.456 0.622
+ 0.550000 25 -0.075 -0.105
+ 0.550000 26 0.385 -0.569
+ 0.550000 27 -0.075 -0.105
+ 0.550000 28 -0.139 0.055
+ 0.550000 29 -0.159 -0.491
+ 0.550000 30 0.163 0.146
+ 0.550000 31 -0.420 -0.546
+ 0.550000 32 -0.085 0.485
diff --git a/regtest/basic/rt64-mpi/deriva.1.reference b/regtest/basic/rt64-mpi/deriva.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..e3c9a0f1a2330005f7146fe06d4603e918c60e12
--- /dev/null
+++ b/regtest/basic/rt64-mpi/deriva.1.reference
@@ -0,0 +1,397 @@
+#! FIELDS time parameter rdca rdcan
+ 0.000000 0 -1.172 -1.128
+ 0.000000 1 0.509 0.594
+ 0.000000 2 1.479 -0.303
+ 0.000000 3 1.172 1.128
+ 0.000000 4 -0.509 -0.594
+ 0.000000 5 -1.479 0.303
+ 0.000000 6 5.815 1.968
+ 0.000000 7 -4.632 -4.048
+ 0.000000 8 -1.568 1.941
+ 0.000000 9 -5.815 -1.969
+ 0.000000 10 4.632 4.048
+ 0.000000 11 1.568 -1.941
+ 0.000000 12 0.918 1.811
+ 0.000000 13 -1.919 -1.249
+ 0.000000 14 -1.536 -0.440
+ 0.000000 15 -0.918 -1.811
+ 0.000000 16 1.919 1.249
+ 0.000000 17 1.536 0.440
+ 0.000000 18 -1.219 -3.232
+ 0.000000 19 0.222 -2.864
+ 0.000000 20 -2.966 -1.403
+ 0.000000 21 1.219 3.232
+ 0.000000 22 -0.222 2.864
+ 0.000000 23 2.966 1.402
+ 0.000000 24 0.012 0.275
+ 0.000000 25 0.215 -0.147
+ 0.000000 26 0.391 0.078
+ 0.000000 27 0.215 -0.147
+ 0.000000 28 -0.294 -0.674
+ 0.000000 29 -0.153 0.259
+ 0.000000 30 0.781 0.495
+ 0.000000 31 -0.759 -1.062
+ 0.000000 32 -0.123 0.429
+ 0.050000 0 0.031 -1.002
+ 0.050000 1 0.059 0.087
+ 0.050000 2 -1.246 -0.172
+ 0.050000 3 -0.031 1.002
+ 0.050000 4 -0.059 -0.087
+ 0.050000 5 1.246 0.172
+ 0.050000 6 -8.850 -7.626
+ 0.050000 7 1.345 -1.111
+ 0.050000 8 8.075 19.129
+ 0.050000 9 8.850 7.626
+ 0.050000 10 -1.345 1.111
+ 0.050000 11 -8.075 -19.129
+ 0.050000 12 1.224 3.526
+ 0.050000 13 0.918 2.880
+ 0.050000 14 1.502 0.343
+ 0.050000 15 -1.224 -3.526
+ 0.050000 16 -0.918 -2.880
+ 0.050000 17 -1.502 -0.343
+ 0.050000 18 -1.968 -1.401
+ 0.050000 19 -3.018 -2.971
+ 0.050000 20 1.529 4.695
+ 0.050000 21 1.968 1.401
+ 0.050000 22 3.018 2.972
+ 0.050000 23 -1.529 -4.695
+ 0.050000 24 0.878 0.620
+ 0.050000 25 -0.476 -0.458
+ 0.050000 26 -0.980 -0.818
+ 0.050000 27 -0.476 -0.458
+ 0.050000 28 -0.372 -0.728
+ 0.050000 29 0.391 1.634
+ 0.050000 30 -0.405 -0.095
+ 0.050000 31 -0.246 -0.149
+ 0.050000 32 0.684 1.616
+ 0.100000 0 -0.136 0.079
+ 0.100000 1 0.004 -0.233
+ 0.100000 2 0.141 -0.012
+ 0.100000 3 0.136 -0.079
+ 0.100000 4 -0.004 0.233
+ 0.100000 5 -0.141 0.012
+ 0.100000 6 1.290 5.476
+ 0.100000 7 -2.587 8.928
+ 0.100000 8 11.644 16.342
+ 0.100000 9 -1.290 -5.477
+ 0.100000 10 2.587 -8.929
+ 0.100000 11 -11.644 -16.340
+ 0.100000 12 3.699 3.417
+ 0.100000 13 3.153 3.378
+ 0.100000 14 -1.862 -4.995
+ 0.100000 15 -3.699 -3.416
+ 0.100000 16 -3.153 -3.378
+ 0.100000 17 1.862 4.995
+ 0.100000 18 0.688 1.269
+ 0.100000 19 0.056 0.606
+ 0.100000 20 3.840 -0.254
+ 0.100000 21 -0.688 -1.269
+ 0.100000 22 -0.056 -0.605
+ 0.100000 23 -3.840 0.255
+ 0.100000 24 -0.200 0.075
+ 0.100000 25 -0.049 0.525
+ 0.100000 26 0.152 0.238
+ 0.100000 27 -0.049 0.525
+ 0.100000 28 -0.431 1.068
+ 0.100000 29 1.352 1.209
+ 0.100000 30 0.601 0.678
+ 0.100000 31 0.241 0.338
+ 0.100000 32 0.828 1.370
+ 0.150000 0 -0.543 0.002
+ 0.150000 1 0.600 0.223
+ 0.150000 2 0.389 0.578
+ 0.150000 3 0.543 -0.001
+ 0.150000 4 -0.600 -0.223
+ 0.150000 5 -0.389 -0.578
+ 0.150000 6 5.112 2.751
+ 0.150000 7 14.062 23.340
+ 0.150000 8 5.736 17.606
+ 0.150000 9 -5.112 -2.752
+ 0.150000 10 -14.062 -23.341
+ 0.150000 11 -5.736 -17.606
+ 0.150000 12 -0.612 -0.136
+ 0.150000 13 0.489 3.840
+ 0.150000 14 -6.804 -0.636
+ 0.150000 15 0.612 0.136
+ 0.150000 16 -0.489 -3.840
+ 0.150000 17 6.804 0.636
+ 0.150000 18 0.355 2.265
+ 0.150000 19 0.336 2.455
+ 0.150000 20 -2.502 -6.117
+ 0.150000 21 -0.355 -2.265
+ 0.150000 22 -0.336 -2.455
+ 0.150000 23 2.502 6.117
+ 0.150000 24 0.370 0.426
+ 0.150000 25 0.589 0.252
+ 0.150000 26 0.684 0.588
+ 0.150000 27 0.589 0.252
+ 0.150000 28 1.869 3.432
+ 0.150000 29 -0.123 2.375
+ 0.150000 30 0.016 0.357
+ 0.150000 31 0.261 1.075
+ 0.150000 32 0.763 0.928
+ 0.200000 0 0.110 0.022
+ 0.200000 1 -0.076 0.019
+ 0.200000 2 0.038 0.026
+ 0.200000 3 -0.110 -0.022
+ 0.200000 4 0.076 -0.019
+ 0.200000 5 -0.038 -0.026
+ 0.200000 6 -2.192 3.508
+ 0.200000 7 8.617 14.895
+ 0.200000 8 11.023 -0.199
+ 0.200000 9 2.192 -3.508
+ 0.200000 10 -8.617 -14.894
+ 0.200000 11 -11.023 0.199
+ 0.200000 12 0.550 3.932
+ 0.200000 13 3.870 12.036
+ 0.200000 14 7.125 7.315
+ 0.200000 15 -0.550 -3.932
+ 0.200000 16 -3.870 -12.035
+ 0.200000 17 -7.125 -7.316
+ 0.200000 18 1.987 0.675
+ 0.200000 19 2.205 2.573
+ 0.200000 20 -3.762 -2.029
+ 0.200000 21 -1.987 -0.675
+ 0.200000 22 -2.205 -2.573
+ 0.200000 23 3.762 2.029
+ 0.200000 24 0.014 0.931
+ 0.200000 25 -0.284 0.663
+ 0.200000 26 -0.057 -1.305
+ 0.200000 27 -0.284 0.663
+ 0.200000 28 1.534 3.305
+ 0.200000 29 2.544 1.590
+ 0.200000 30 0.299 0.028
+ 0.200000 31 0.875 0.649
+ 0.200000 32 0.133 0.656
+ 0.250000 0 0.945 0.718
+ 0.250000 1 -1.023 -1.219
+ 0.250000 2 0.135 -0.713
+ 0.250000 3 -0.945 -0.718
+ 0.250000 4 1.023 1.219
+ 0.250000 5 -0.135 0.712
+ 0.250000 6 6.011 -7.308
+ 0.250000 7 6.619 8.169
+ 0.250000 8 -11.833 -4.021
+ 0.250000 9 -6.011 7.308
+ 0.250000 10 -6.619 -8.169
+ 0.250000 11 11.833 4.022
+ 0.250000 12 2.046 1.285
+ 0.250000 13 4.939 11.902
+ 0.250000 14 0.116 -0.490
+ 0.250000 15 -2.046 -1.285
+ 0.250000 16 -4.939 -11.902
+ 0.250000 17 -0.116 0.490
+ 0.250000 18 -2.053 -2.153
+ 0.250000 19 0.575 0.640
+ 0.250000 20 2.711 -0.617
+ 0.250000 21 2.053 2.153
+ 0.250000 22 -0.575 -0.640
+ 0.250000 23 -2.711 0.618
+ 0.250000 24 0.916 2.663
+ 0.250000 25 0.835 0.738
+ 0.250000 26 -1.482 -2.857
+ 0.250000 27 0.835 0.738
+ 0.250000 28 1.269 0.665
+ 0.250000 29 -0.964 -0.399
+ 0.250000 30 -0.470 -0.844
+ 0.250000 31 -0.073 0.812
+ 0.250000 32 0.576 1.017
+ 0.300000 0 -0.093 0.416
+ 0.300000 1 -0.081 -0.454
+ 0.300000 2 -0.349 -0.967
+ 0.300000 3 0.093 -0.416
+ 0.300000 4 0.081 0.454
+ 0.300000 5 0.349 0.967
+ 0.300000 6 -13.697 -5.639
+ 0.300000 7 1.594 9.706
+ 0.300000 8 8.034 18.614
+ 0.300000 9 13.697 5.638
+ 0.300000 10 -1.594 -9.707
+ 0.300000 11 -8.034 -18.615
+ 0.300000 12 -0.213 -1.998
+ 0.300000 13 1.953 2.386
+ 0.300000 14 -0.170 -0.032
+ 0.300000 15 0.213 1.998
+ 0.300000 16 -1.953 -2.386
+ 0.300000 17 0.170 0.032
+ 0.300000 18 -0.089 1.751
+ 0.300000 19 0.057 0.576
+ 0.300000 20 -2.927 -0.118
+ 0.300000 21 0.089 -1.751
+ 0.300000 22 -0.057 -0.576
+ 0.300000 23 2.927 0.118
+ 0.300000 24 1.787 2.064
+ 0.300000 25 -0.170 0.559
+ 0.300000 26 -1.408 -0.793
+ 0.300000 27 -0.170 0.559
+ 0.300000 28 -0.152 0.549
+ 0.300000 29 0.437 1.272
+ 0.300000 30 -0.326 -0.006
+ 0.300000 31 0.273 0.574
+ 0.300000 32 0.432 0.973
+ 0.350000 0 0.562 0.707
+ 0.350000 1 -0.412 -0.307
+ 0.350000 2 -0.682 -0.296
+ 0.350000 3 -0.562 -0.707
+ 0.350000 4 0.412 0.307
+ 0.350000 5 0.682 0.296
+ 0.350000 6 3.083 8.531
+ 0.350000 7 3.104 -2.940
+ 0.350000 8 4.048 3.479
+ 0.350000 9 -3.083 -8.531
+ 0.350000 10 -3.104 2.940
+ 0.350000 11 -4.048 -3.479
+ 0.350000 12 -6.694 -4.476
+ 0.350000 13 1.622 6.399
+ 0.350000 14 0.517 -1.273
+ 0.350000 15 6.694 4.475
+ 0.350000 16 -1.622 -6.400
+ 0.350000 17 -0.517 1.273
+ 0.350000 18 1.966 0.570
+ 0.350000 19 0.555 1.223
+ 0.350000 20 3.003 -0.824
+ 0.350000 21 -1.966 -0.570
+ 0.350000 22 -0.555 -1.223
+ 0.350000 23 -3.003 0.824
+ 0.350000 24 -0.672 -0.607
+ 0.350000 25 0.383 0.938
+ 0.350000 26 0.031 0.556
+ 0.350000 27 0.383 0.938
+ 0.350000 28 0.210 0.556
+ 0.350000 29 0.214 -0.294
+ 0.350000 30 -0.385 0.247
+ 0.350000 31 0.277 -0.473
+ 0.350000 32 0.388 0.616
+ 0.400000 0 0.533 -0.114
+ 0.400000 1 0.389 0.996
+ 0.400000 2 1.420 -0.021
+ 0.400000 3 -0.533 0.114
+ 0.400000 4 -0.389 -0.996
+ 0.400000 5 -1.420 0.021
+ 0.400000 6 2.964 3.289
+ 0.400000 7 -3.288 -3.135
+ 0.400000 8 -0.309 2.723
+ 0.400000 9 -2.964 -3.290
+ 0.400000 10 3.288 3.135
+ 0.400000 11 0.309 -2.723
+ 0.400000 12 2.606 7.481
+ 0.400000 13 5.613 8.603
+ 0.400000 14 -2.103 1.608
+ 0.400000 15 -2.606 -7.481
+ 0.400000 16 -5.613 -8.603
+ 0.400000 17 2.103 -1.608
+ 0.400000 18 -1.433 -1.777
+ 0.400000 19 0.686 2.039
+ 0.400000 20 -3.927 -7.294
+ 0.400000 21 1.433 1.777
+ 0.400000 22 -0.686 -2.039
+ 0.400000 23 3.927 7.294
+ 0.400000 24 0.285 -0.311
+ 0.400000 25 0.493 0.299
+ 0.400000 26 0.648 -0.320
+ 0.400000 27 0.493 0.299
+ 0.400000 28 0.659 0.210
+ 0.400000 29 -0.439 -0.174
+ 0.400000 30 0.391 0.996
+ 0.400000 31 -0.457 -0.339
+ 0.400000 32 0.332 1.360
+ 0.450000 0 -0.671 -1.615
+ 0.450000 1 0.629 0.643
+ 0.450000 2 -1.493 -0.106
+ 0.450000 3 0.671 1.615
+ 0.450000 4 -0.629 -0.643
+ 0.450000 5 1.493 0.106
+ 0.450000 6 0.229 2.185
+ 0.450000 7 0.108 -2.517
+ 0.450000 8 2.135 2.942
+ 0.450000 9 -0.229 -2.185
+ 0.450000 10 -0.108 2.517
+ 0.450000 11 -2.135 -2.942
+ 0.450000 12 4.365 6.548
+ 0.450000 13 2.677 1.781
+ 0.450000 14 3.322 -1.548
+ 0.450000 15 -4.365 -6.548
+ 0.450000 16 -2.677 -1.781
+ 0.450000 17 -3.322 1.548
+ 0.450000 18 -0.221 1.291
+ 0.450000 19 0.867 -3.065
+ 0.450000 20 -2.158 -0.820
+ 0.450000 21 0.221 -1.291
+ 0.450000 22 -0.867 3.066
+ 0.450000 23 2.158 0.820
+ 0.450000 24 -0.534 -0.220
+ 0.450000 25 -0.175 -0.046
+ 0.450000 26 -0.795 -1.761
+ 0.450000 27 -0.175 -0.046
+ 0.450000 28 -0.358 -0.809
+ 0.450000 29 0.161 0.594
+ 0.450000 30 0.539 -0.057
+ 0.450000 31 0.128 1.029
+ 0.450000 32 0.823 0.870
+ 0.500000 0 -1.179 -0.145
+ 0.500000 1 0.017 0.102
+ 0.500000 2 1.731 -0.127
+ 0.500000 3 1.179 0.145
+ 0.500000 4 -0.017 -0.102
+ 0.500000 5 -1.731 0.127
+ 0.500000 6 -0.970 -1.296
+ 0.500000 7 1.302 2.302
+ 0.500000 8 -0.400 0.249
+ 0.500000 9 0.970 1.296
+ 0.500000 10 -1.302 -2.303
+ 0.500000 11 0.400 -0.249
+ 0.500000 12 2.889 2.537
+ 0.500000 13 -1.185 0.852
+ 0.500000 14 -6.442 -13.212
+ 0.500000 15 -2.889 -2.537
+ 0.500000 16 1.185 -0.852
+ 0.500000 17 6.442 13.213
+ 0.500000 18 1.635 1.736
+ 0.500000 19 -4.253 -4.257
+ 0.500000 20 1.447 4.446
+ 0.500000 21 -1.635 -1.736
+ 0.500000 22 4.253 4.257
+ 0.500000 23 -1.447 -4.446
+ 0.500000 24 0.575 0.753
+ 0.500000 25 -0.077 -0.142
+ 0.500000 26 -1.184 -1.811
+ 0.500000 27 -0.077 -0.142
+ 0.500000 28 -0.226 0.154
+ 0.500000 29 0.457 -0.433
+ 0.500000 30 -0.341 -0.345
+ 0.500000 31 0.529 0.319
+ 0.500000 32 0.264 0.938
+ 0.550000 0 1.052 -0.253
+ 0.550000 1 0.086 0.653
+ 0.550000 2 -1.891 -0.245
+ 0.550000 3 -1.052 0.253
+ 0.550000 4 -0.086 -0.653
+ 0.550000 5 1.891 0.245
+ 0.550000 6 -0.270 -1.312
+ 0.550000 7 0.828 1.658
+ 0.550000 8 0.538 0.819
+ 0.550000 9 0.270 1.312
+ 0.550000 10 -0.828 -1.658
+ 0.550000 11 -0.538 -0.819
+ 0.550000 12 -0.142 1.672
+ 0.550000 13 0.823 -2.969
+ 0.550000 14 -2.737 -5.771
+ 0.550000 15 0.142 -1.672
+ 0.550000 16 -0.823 2.969
+ 0.550000 17 2.737 5.772
+ 0.550000 18 0.151 -1.292
+ 0.550000 19 -0.005 0.258
+ 0.550000 20 4.500 0.989
+ 0.550000 21 -0.151 1.292
+ 0.550000 22 0.005 -0.258
+ 0.550000 23 -4.500 -0.989
+ 0.550000 24 0.167 0.622
+ 0.550000 25 -0.030 -0.105
+ 0.550000 26 -0.954 -0.569
+ 0.550000 27 -0.030 -0.105
+ 0.550000 28 0.195 0.055
+ 0.550000 29 -0.332 -0.491
+ 0.550000 30 -0.018 0.146
+ 0.550000 31 -0.126 -0.546
+ 0.550000 32 0.570 0.485
diff --git a/regtest/basic/rt64-mpi/derivb.0.reference b/regtest/basic/rt64-mpi/derivb.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..028ae7b25aafd983c81e6ec9fd5dbbf55c5f0df2
--- /dev/null
+++ b/regtest/basic/rt64-mpi/derivb.0.reference
@@ -0,0 +1,397 @@
+#! FIELDS time parameter rdcb rdcbn
+ 0.000000 0 0.057 -1.442
+ 0.000000 1 0.109 0.760
+ 0.000000 2 -2.278 -0.387
+ 0.000000 3 -0.057 1.442
+ 0.000000 4 -0.109 -0.760
+ 0.000000 5 2.278 0.387
+ 0.000000 6 -3.169 1.622
+ 0.000000 7 0.482 -3.335
+ 0.000000 8 2.891 1.599
+ 0.000000 9 3.169 -1.622
+ 0.000000 10 -0.482 3.335
+ 0.000000 11 -2.891 -1.600
+ 0.000000 12 0.666 1.351
+ 0.000000 13 0.500 -0.932
+ 0.000000 14 0.818 -0.328
+ 0.000000 15 -0.666 -1.351
+ 0.000000 16 -0.500 0.932
+ 0.000000 17 -0.818 0.328
+ 0.000000 18 2.728 4.380
+ 0.000000 19 4.183 3.882
+ 0.000000 20 -2.119 1.901
+ 0.000000 21 -2.728 -4.380
+ 0.000000 22 -4.183 -3.882
+ 0.000000 23 2.119 -1.901
+ 0.000000 24 0.529 0.188
+ 0.000000 25 0.174 0.390
+ 0.000000 26 -0.427 -1.279
+ 0.000000 27 0.174 0.390
+ 0.000000 28 0.406 0.174
+ 0.000000 29 0.096 0.218
+ 0.000000 30 0.292 0.732
+ 0.000000 31 0.564 0.001
+ 0.000000 32 0.098 -0.363
+ 0.050000 0 -2.317 -2.247
+ 0.050000 1 0.061 0.194
+ 0.050000 2 2.409 -0.386
+ 0.050000 3 2.317 2.247
+ 0.050000 4 -0.061 -0.194
+ 0.050000 5 -2.409 0.386
+ 0.050000 6 -0.044 0.273
+ 0.050000 7 0.088 0.040
+ 0.050000 8 -0.396 -0.685
+ 0.050000 9 0.044 -0.273
+ 0.050000 10 -0.088 -0.040
+ 0.050000 11 0.396 0.685
+ 0.050000 12 0.174 0.266
+ 0.050000 13 0.148 0.217
+ 0.050000 14 -0.087 0.026
+ 0.050000 15 -0.174 -0.266
+ 0.050000 16 -0.148 -0.217
+ 0.050000 17 0.087 -0.026
+ 0.050000 18 -0.544 1.343
+ 0.050000 19 -0.045 2.850
+ 0.050000 20 -3.037 -4.503
+ 0.050000 21 0.544 -1.343
+ 0.050000 22 0.045 -2.850
+ 0.050000 23 3.037 4.503
+ 0.050000 24 -0.423 -0.346
+ 0.050000 25 -0.012 0.180
+ 0.050000 26 -0.124 0.009
+ 0.050000 27 -0.012 0.180
+ 0.050000 28 0.001 0.286
+ 0.050000 29 -0.085 0.144
+ 0.050000 30 -0.270 -0.027
+ 0.050000 31 0.028 0.376
+ 0.050000 32 0.004 0.060
+ 0.100000 0 2.799 1.027
+ 0.100000 1 -3.092 -3.045
+ 0.100000 2 -2.004 -0.162
+ 0.100000 3 -2.799 -1.027
+ 0.100000 4 3.092 3.045
+ 0.100000 5 2.004 0.162
+ 0.100000 6 1.874 2.451
+ 0.100000 7 5.154 3.996
+ 0.100000 8 2.102 7.314
+ 0.100000 9 -1.874 -2.451
+ 0.100000 10 -5.154 -3.996
+ 0.100000 11 -2.102 -7.313
+ 0.100000 12 0.227 -2.752
+ 0.100000 13 -0.181 -2.721
+ 0.100000 14 2.524 4.024
+ 0.100000 15 -0.227 2.752
+ 0.100000 16 0.181 2.721
+ 0.100000 17 -2.524 -4.024
+ 0.100000 18 -0.405 -0.885
+ 0.100000 19 -0.383 -0.422
+ 0.100000 20 2.855 0.177
+ 0.100000 21 0.405 0.885
+ 0.100000 22 0.383 0.422
+ 0.100000 23 -2.855 -0.178
+ 0.100000 24 -0.147 -0.322
+ 0.100000 25 0.386 0.601
+ 0.100000 26 0.268 -0.265
+ 0.100000 27 0.386 0.601
+ 0.100000 28 0.389 0.400
+ 0.100000 29 0.666 1.085
+ 0.100000 30 0.460 -0.114
+ 0.100000 31 -0.339 -0.743
+ 0.100000 32 -0.627 -0.078
+ 0.150000 0 -2.224 -0.006
+ 0.150000 1 1.538 -0.912
+ 0.150000 2 -0.771 -2.359
+ 0.150000 3 2.224 0.006
+ 0.150000 4 -1.538 0.912
+ 0.150000 5 0.771 2.359
+ 0.150000 6 -0.418 0.487
+ 0.150000 7 1.641 4.128
+ 0.150000 8 2.099 3.114
+ 0.150000 9 0.418 -0.487
+ 0.150000 10 -1.641 -4.128
+ 0.150000 11 -2.099 -3.114
+ 0.150000 12 -0.078 0.022
+ 0.150000 13 -0.551 -0.631
+ 0.150000 14 -1.014 0.105
+ 0.150000 15 0.078 -0.022
+ 0.150000 16 0.551 0.631
+ 0.150000 17 1.014 -0.105
+ 0.150000 18 -1.690 -2.005
+ 0.150000 19 -1.876 -2.173
+ 0.150000 20 3.201 5.415
+ 0.150000 21 1.690 2.005
+ 0.150000 22 1.876 2.173
+ 0.150000 23 -3.201 -5.416
+ 0.150000 24 -0.106 -0.240
+ 0.150000 25 0.135 0.362
+ 0.150000 26 -0.272 0.000
+ 0.150000 27 0.135 0.362
+ 0.150000 28 0.118 0.233
+ 0.150000 29 0.024 0.389
+ 0.150000 30 -0.639 -0.279
+ 0.150000 31 -0.054 -0.352
+ 0.150000 32 0.454 0.007
+ 0.200000 0 1.907 -0.484
+ 0.200000 1 -2.064 -0.411
+ 0.200000 2 0.272 -0.557
+ 0.200000 3 -1.907 0.484
+ 0.200000 4 2.064 0.411
+ 0.200000 5 -0.272 0.557
+ 0.200000 6 1.184 0.729
+ 0.200000 7 1.304 3.094
+ 0.200000 8 -2.331 -0.041
+ 0.200000 9 -1.184 -0.729
+ 0.200000 10 -1.304 -3.093
+ 0.200000 11 2.331 0.041
+ 0.200000 12 -0.483 -0.561
+ 0.200000 13 -1.165 -1.717
+ 0.200000 14 -0.027 -1.044
+ 0.200000 15 0.483 0.561
+ 0.200000 16 1.165 1.717
+ 0.200000 17 0.027 1.044
+ 0.200000 18 1.231 -0.633
+ 0.200000 19 -0.345 -2.414
+ 0.200000 20 -1.626 1.904
+ 0.200000 21 -1.231 0.633
+ 0.200000 22 0.345 2.414
+ 0.200000 23 1.626 -1.904
+ 0.200000 24 -0.277 -0.389
+ 0.200000 25 0.256 0.402
+ 0.200000 26 0.055 -0.241
+ 0.200000 27 0.256 0.402
+ 0.200000 28 -0.223 -0.085
+ 0.200000 29 -0.280 -0.244
+ 0.200000 30 -0.254 -0.950
+ 0.200000 31 0.226 0.162
+ 0.200000 32 -0.034 0.474
+ 0.250000 0 -0.692 2.194
+ 0.250000 1 -0.599 -3.724
+ 0.250000 2 -2.590 -2.177
+ 0.250000 3 0.692 -2.194
+ 0.250000 4 0.599 3.724
+ 0.250000 5 2.590 2.177
+ 0.250000 6 -3.230 -1.772
+ 0.250000 7 0.376 1.981
+ 0.250000 8 1.894 -0.975
+ 0.250000 9 3.230 1.772
+ 0.250000 10 -0.376 -1.981
+ 0.250000 11 -1.894 0.975
+ 0.250000 12 0.309 -0.521
+ 0.250000 13 -2.823 -4.826
+ 0.250000 14 0.246 0.199
+ 0.250000 15 -0.309 0.521
+ 0.250000 16 2.823 4.826
+ 0.250000 17 -0.246 -0.199
+ 0.250000 18 0.081 1.741
+ 0.250000 19 -0.053 -0.518
+ 0.250000 20 2.692 0.499
+ 0.250000 21 -0.081 -1.741
+ 0.250000 22 0.053 0.518
+ 0.250000 23 -2.692 -0.499
+ 0.250000 24 0.525 0.106
+ 0.250000 25 -0.008 0.324
+ 0.250000 26 0.458 0.551
+ 0.250000 27 -0.008 0.324
+ 0.250000 28 0.338 -0.065
+ 0.250000 29 0.055 -0.295
+ 0.250000 30 0.003 -0.380
+ 0.250000 31 -0.288 0.070
+ 0.250000 32 0.022 -0.041
+ 0.300000 0 2.628 2.146
+ 0.300000 1 -1.927 -2.343
+ 0.300000 2 -3.187 -4.986
+ 0.300000 3 -2.628 -2.146
+ 0.300000 4 1.927 2.343
+ 0.300000 5 3.187 4.986
+ 0.300000 6 0.784 -0.549
+ 0.300000 7 0.789 0.945
+ 0.300000 8 1.030 1.812
+ 0.300000 9 -0.784 0.549
+ 0.300000 10 -0.789 -0.945
+ 0.300000 11 -1.030 -1.812
+ 0.300000 12 1.277 1.430
+ 0.300000 13 -0.309 -1.707
+ 0.300000 14 -0.099 0.023
+ 0.300000 15 -1.277 -1.430
+ 0.300000 16 0.309 1.707
+ 0.300000 17 0.099 -0.023
+ 0.300000 18 -1.121 -1.067
+ 0.300000 19 -0.316 -0.351
+ 0.300000 20 -1.711 0.072
+ 0.300000 21 1.121 1.067
+ 0.300000 22 0.316 0.351
+ 0.300000 23 1.711 -0.072
+ 0.300000 24 0.217 0.462
+ 0.300000 25 0.187 0.202
+ 0.300000 26 0.493 0.868
+ 0.300000 27 0.187 0.202
+ 0.300000 28 0.019 0.200
+ 0.300000 29 0.044 0.086
+ 0.300000 30 0.479 0.494
+ 0.300000 31 -0.352 -0.487
+ 0.300000 32 -0.666 -0.661
+ 0.350000 0 -0.325 -1.583
+ 0.350000 1 -0.237 0.686
+ 0.350000 2 -0.864 0.662
+ 0.350000 3 0.325 1.583
+ 0.350000 4 0.237 -0.686
+ 0.350000 5 0.864 -0.662
+ 0.350000 6 6.235 9.764
+ 0.350000 7 -6.917 -3.365
+ 0.350000 8 -0.651 3.982
+ 0.350000 9 -6.235 -9.765
+ 0.350000 10 6.917 3.365
+ 0.350000 11 0.651 -3.983
+ 0.350000 12 0.584 -1.178
+ 0.350000 13 1.258 1.685
+ 0.350000 14 -0.471 -0.335
+ 0.350000 15 -0.584 1.178
+ 0.350000 16 -1.258 -1.685
+ 0.350000 17 0.471 0.335
+ 0.350000 18 0.683 -0.279
+ 0.350000 19 -0.327 -0.598
+ 0.350000 20 1.871 0.403
+ 0.350000 21 -0.683 0.279
+ 0.350000 22 0.327 0.598
+ 0.350000 23 -1.871 -0.403
+ 0.350000 24 -0.449 -0.095
+ 0.350000 25 0.475 0.831
+ 0.350000 26 -0.385 0.180
+ 0.350000 27 0.475 0.831
+ 0.350000 28 -0.295 0.068
+ 0.350000 29 -0.061 0.479
+ 0.350000 30 0.585 0.193
+ 0.350000 31 -0.744 -0.462
+ 0.350000 32 -0.230 0.027
+ 0.400000 0 -2.310 -0.408
+ 0.400000 1 2.168 3.555
+ 0.400000 2 -5.142 -0.076
+ 0.400000 3 2.310 0.407
+ 0.400000 4 -2.168 -3.555
+ 0.400000 5 5.142 0.076
+ 0.400000 6 -0.193 -1.951
+ 0.400000 7 -0.091 1.860
+ 0.400000 8 -1.799 -1.615
+ 0.400000 9 0.193 1.951
+ 0.400000 10 0.091 -1.860
+ 0.400000 11 1.799 1.615
+ 0.400000 12 -1.037 -1.591
+ 0.400000 13 -0.636 -1.829
+ 0.400000 14 -0.789 -0.342
+ 0.400000 15 1.037 1.591
+ 0.400000 16 0.636 1.829
+ 0.400000 17 0.789 0.342
+ 0.400000 18 0.437 2.255
+ 0.400000 19 -1.716 -2.586
+ 0.400000 20 4.271 9.253
+ 0.400000 21 -0.437 -2.255
+ 0.400000 22 1.716 2.586
+ 0.400000 23 -4.271 -9.253
+ 0.400000 24 -0.110 -0.051
+ 0.400000 25 0.241 0.375
+ 0.400000 26 -0.125 -0.132
+ 0.400000 27 0.241 0.375
+ 0.400000 28 0.076 0.109
+ 0.400000 29 0.029 0.956
+ 0.400000 30 0.076 -0.094
+ 0.400000 31 -0.125 0.240
+ 0.400000 32 -0.080 -0.059
+ 0.450000 0 -1.930 -3.300
+ 0.450000 1 0.028 1.314
+ 0.450000 2 2.833 -0.217
+ 0.450000 3 1.930 3.300
+ 0.450000 4 -0.028 -1.314
+ 0.450000 5 -2.833 0.216
+ 0.450000 6 9.050 10.109
+ 0.450000 7 -12.147 -11.646
+ 0.450000 8 3.736 13.612
+ 0.450000 9 -9.050 -10.109
+ 0.450000 10 12.147 11.647
+ 0.450000 11 -3.736 -13.613
+ 0.450000 12 -2.065 -6.193
+ 0.450000 13 0.847 -1.685
+ 0.450000 14 4.606 1.464
+ 0.450000 15 2.065 6.193
+ 0.450000 16 -0.847 1.685
+ 0.450000 17 -4.606 -1.464
+ 0.450000 18 -2.538 -2.167
+ 0.450000 19 6.603 5.146
+ 0.450000 20 -2.246 1.377
+ 0.450000 21 2.538 2.167
+ 0.450000 22 -6.603 -5.147
+ 0.450000 23 2.246 -1.377
+ 0.450000 24 -0.265 -0.105
+ 0.450000 25 0.434 0.713
+ 0.450000 26 0.031 -0.904
+ 0.450000 27 0.434 0.713
+ 0.450000 28 -0.206 0.006
+ 0.450000 29 -0.213 -0.744
+ 0.450000 30 -0.630 -0.873
+ 0.450000 31 0.348 0.135
+ 0.450000 32 -0.174 0.099
+ 0.500000 0 1.153 -0.162
+ 0.500000 1 0.095 0.114
+ 0.500000 2 -2.073 -0.142
+ 0.500000 3 -1.153 0.162
+ 0.500000 4 -0.095 -0.114
+ 0.500000 5 2.073 0.141
+ 0.500000 6 1.014 4.029
+ 0.500000 7 -3.111 -7.157
+ 0.500000 8 -2.020 -0.775
+ 0.500000 9 -1.014 -4.029
+ 0.500000 10 3.111 7.158
+ 0.500000 11 2.020 0.775
+ 0.500000 12 0.091 -0.659
+ 0.500000 13 -0.529 -0.221
+ 0.500000 14 1.760 3.434
+ 0.500000 15 -0.091 0.659
+ 0.500000 16 0.529 0.221
+ 0.500000 17 -1.760 -3.434
+ 0.500000 18 -0.097 -1.675
+ 0.500000 19 0.003 4.109
+ 0.500000 20 -2.895 -4.292
+ 0.500000 21 0.097 1.675
+ 0.500000 22 -0.003 -4.109
+ 0.500000 23 2.895 4.292
+ 0.500000 24 0.176 0.220
+ 0.500000 25 0.125 0.208
+ 0.500000 26 0.110 -0.010
+ 0.500000 27 0.125 0.208
+ 0.500000 28 -0.369 -0.274
+ 0.500000 29 0.008 -0.125
+ 0.500000 30 -0.169 -0.307
+ 0.500000 31 0.299 0.141
+ 0.500000 32 -0.028 0.054
+ 0.550000 0 -1.687 -0.327
+ 0.550000 1 0.733 0.845
+ 0.550000 2 2.128 -0.317
+ 0.550000 3 1.687 0.327
+ 0.550000 4 -0.733 -0.845
+ 0.550000 5 -2.128 0.316
+ 0.550000 6 3.005 3.784
+ 0.550000 7 -2.394 -4.782
+ 0.550000 8 -0.810 -2.361
+ 0.550000 9 -3.005 -3.784
+ 0.550000 10 2.394 4.782
+ 0.550000 11 0.810 2.361
+ 0.550000 12 -1.122 -1.034
+ 0.550000 13 2.345 1.836
+ 0.550000 14 1.877 3.569
+ 0.550000 15 1.122 1.034
+ 0.550000 16 -2.345 -1.836
+ 0.550000 17 -1.877 -3.569
+ 0.550000 18 1.012 0.906
+ 0.550000 19 -0.185 -0.181
+ 0.550000 20 2.463 -0.694
+ 0.550000 21 -1.012 -0.906
+ 0.550000 22 0.185 0.181
+ 0.550000 23 -2.463 0.694
+ 0.550000 24 -0.046 0.173
+ 0.550000 25 -0.009 0.095
+ 0.550000 26 -0.749 -0.675
+ 0.550000 27 -0.009 0.095
+ 0.550000 28 0.070 -0.227
+ 0.550000 29 0.294 0.331
+ 0.550000 30 0.028 -0.133
+ 0.550000 31 0.108 0.342
+ 0.550000 32 0.117 0.053
diff --git a/regtest/basic/rt64-mpi/derivb.1.reference b/regtest/basic/rt64-mpi/derivb.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a17c801b8b4a729c1d4a12f1e6d004c9d7e48df4
--- /dev/null
+++ b/regtest/basic/rt64-mpi/derivb.1.reference
@@ -0,0 +1,397 @@
+#! FIELDS time parameter rdcb rdcbn
+ 0.000000 0 -1.499 -1.442
+ 0.000000 1 0.651 0.760
+ 0.000000 2 1.891 -0.387
+ 0.000000 3 1.499 1.442
+ 0.000000 4 -0.651 -0.760
+ 0.000000 5 -1.891 0.387
+ 0.000000 6 4.791 1.622
+ 0.000000 7 -3.817 -3.335
+ 0.000000 8 -1.292 1.599
+ 0.000000 9 -4.791 -1.622
+ 0.000000 10 3.817 3.335
+ 0.000000 11 1.292 -1.600
+ 0.000000 12 0.685 1.351
+ 0.000000 13 -1.432 -0.932
+ 0.000000 14 -1.146 -0.328
+ 0.000000 15 -0.685 -1.351
+ 0.000000 16 1.432 0.932
+ 0.000000 17 1.146 0.328
+ 0.000000 18 1.652 4.380
+ 0.000000 19 -0.301 3.882
+ 0.000000 20 4.021 1.901
+ 0.000000 21 -1.652 -4.380
+ 0.000000 22 0.301 -3.882
+ 0.000000 23 -4.021 -1.901
+ 0.000000 24 -0.340 0.188
+ 0.000000 25 0.216 0.390
+ 0.000000 26 -0.852 -1.279
+ 0.000000 27 0.216 0.390
+ 0.000000 28 -0.232 0.174
+ 0.000000 29 0.121 0.218
+ 0.000000 30 0.440 0.732
+ 0.000000 31 -0.563 0.001
+ 0.000000 32 -0.461 -0.363
+ 0.050000 0 0.070 -2.247
+ 0.050000 1 0.133 0.194
+ 0.050000 2 -2.795 -0.386
+ 0.050000 3 -0.070 2.247
+ 0.050000 4 -0.133 -0.194
+ 0.050000 5 2.795 0.386
+ 0.050000 6 0.317 0.273
+ 0.050000 7 -0.048 0.040
+ 0.050000 8 -0.289 -0.685
+ 0.050000 9 -0.317 -0.273
+ 0.050000 10 0.048 -0.040
+ 0.050000 11 0.289 0.685
+ 0.050000 12 0.092 0.266
+ 0.050000 13 0.069 0.217
+ 0.050000 14 0.113 0.026
+ 0.050000 15 -0.092 -0.266
+ 0.050000 16 -0.069 -0.217
+ 0.050000 17 -0.113 -0.026
+ 0.050000 18 1.888 1.343
+ 0.050000 19 2.895 2.850
+ 0.050000 20 -1.467 -4.503
+ 0.050000 21 -1.888 -1.343
+ 0.050000 22 -2.895 -2.850
+ 0.050000 23 1.467 4.503
+ 0.050000 24 0.077 -0.346
+ 0.050000 25 0.192 0.180
+ 0.050000 26 0.133 0.009
+ 0.050000 27 0.192 0.180
+ 0.050000 28 0.285 0.286
+ 0.050000 29 0.229 0.144
+ 0.050000 30 0.243 -0.027
+ 0.050000 31 0.348 0.376
+ 0.050000 32 0.056 0.060
+ 0.100000 0 -1.771 1.027
+ 0.100000 1 0.046 -3.045
+ 0.100000 2 1.842 -0.162
+ 0.100000 3 1.771 -1.027
+ 0.100000 4 -0.046 3.045
+ 0.100000 5 -1.842 0.162
+ 0.100000 6 0.577 2.451
+ 0.100000 7 -1.158 3.996
+ 0.100000 8 5.212 7.314
+ 0.100000 9 -0.577 -2.451
+ 0.100000 10 1.158 -3.996
+ 0.100000 11 -5.212 -7.313
+ 0.100000 12 -2.979 -2.752
+ 0.100000 13 -2.540 -2.721
+ 0.100000 14 1.500 4.024
+ 0.100000 15 2.979 2.752
+ 0.100000 16 2.540 2.721
+ 0.100000 17 -1.500 -4.024
+ 0.100000 18 -0.480 -0.885
+ 0.100000 19 -0.039 -0.422
+ 0.100000 20 -2.677 0.177
+ 0.100000 21 0.480 0.885
+ 0.100000 22 0.039 0.422
+ 0.100000 23 2.677 -0.178
+ 0.100000 24 -0.175 -0.322
+ 0.100000 25 0.215 0.601
+ 0.100000 26 -0.532 -0.265
+ 0.100000 27 0.215 0.601
+ 0.100000 28 0.012 0.400
+ 0.100000 29 0.419 1.085
+ 0.100000 30 -0.574 -0.114
+ 0.100000 31 -0.405 -0.743
+ 0.100000 32 0.549 -0.078
+ 0.150000 0 2.217 -0.006
+ 0.150000 1 -2.449 -0.912
+ 0.150000 2 -1.588 -2.359
+ 0.150000 3 -2.217 0.006
+ 0.150000 4 2.449 0.912
+ 0.150000 5 1.588 2.359
+ 0.150000 6 0.904 0.487
+ 0.150000 7 2.487 4.128
+ 0.150000 8 1.014 3.114
+ 0.150000 9 -0.904 -0.487
+ 0.150000 10 -2.487 -4.128
+ 0.150000 11 -1.014 -3.114
+ 0.150000 12 0.101 0.022
+ 0.150000 13 -0.080 -0.631
+ 0.150000 14 1.119 0.105
+ 0.150000 15 -0.101 -0.022
+ 0.150000 16 0.080 0.631
+ 0.150000 17 -1.119 -0.105
+ 0.150000 18 -0.314 -2.005
+ 0.150000 19 -0.297 -2.173
+ 0.150000 20 2.215 5.415
+ 0.150000 21 0.314 2.005
+ 0.150000 22 0.297 2.173
+ 0.150000 23 -2.215 -5.416
+ 0.150000 24 -0.133 -0.240
+ 0.150000 25 0.227 0.362
+ 0.150000 26 0.273 0.000
+ 0.150000 27 0.227 0.362
+ 0.150000 28 0.115 0.233
+ 0.150000 29 0.365 0.389
+ 0.150000 30 0.360 -0.279
+ 0.150000 31 -0.298 -0.352
+ 0.150000 32 -0.447 0.007
+ 0.200000 0 -2.391 -0.484
+ 0.200000 1 1.653 -0.411
+ 0.200000 2 -0.829 -0.557
+ 0.200000 3 2.391 0.484
+ 0.200000 4 -1.653 0.411
+ 0.200000 5 0.829 0.557
+ 0.200000 6 -0.455 0.729
+ 0.200000 7 1.790 3.094
+ 0.200000 8 2.289 -0.041
+ 0.200000 9 0.455 -0.729
+ 0.200000 10 -1.790 -3.093
+ 0.200000 11 -2.289 0.041
+ 0.200000 12 -0.079 -0.561
+ 0.200000 13 -0.552 -1.717
+ 0.200000 14 -1.017 -1.044
+ 0.200000 15 0.079 0.561
+ 0.200000 16 0.552 1.717
+ 0.200000 17 1.017 1.044
+ 0.200000 18 -1.864 -0.633
+ 0.200000 19 -2.069 -2.414
+ 0.200000 20 3.530 1.904
+ 0.200000 21 1.864 0.633
+ 0.200000 22 2.069 2.414
+ 0.200000 23 -3.530 -1.904
+ 0.200000 24 -0.112 -0.389
+ 0.200000 25 0.147 0.402
+ 0.200000 26 -0.296 -0.241
+ 0.200000 27 0.147 0.402
+ 0.200000 28 0.137 -0.085
+ 0.200000 29 0.037 -0.244
+ 0.200000 30 -0.695 -0.950
+ 0.200000 31 -0.063 0.162
+ 0.200000 32 0.508 0.474
+ 0.250000 0 2.887 2.194
+ 0.250000 1 -3.125 -3.724
+ 0.250000 2 0.413 -2.177
+ 0.250000 3 -2.887 -2.194
+ 0.250000 4 3.125 3.724
+ 0.250000 5 -0.413 2.177
+ 0.250000 6 1.458 -1.772
+ 0.250000 7 1.605 1.981
+ 0.250000 8 -2.869 -0.975
+ 0.250000 9 -1.458 1.772
+ 0.250000 10 -1.605 -1.981
+ 0.250000 11 2.869 0.975
+ 0.250000 12 -0.829 -0.521
+ 0.250000 13 -2.003 -4.826
+ 0.250000 14 -0.047 0.199
+ 0.250000 15 0.829 0.521
+ 0.250000 16 2.003 4.826
+ 0.250000 17 0.047 -0.199
+ 0.250000 18 1.660 1.741
+ 0.250000 19 -0.465 -0.518
+ 0.250000 20 -2.193 0.499
+ 0.250000 21 -1.660 -1.741
+ 0.250000 22 0.465 0.518
+ 0.250000 23 2.193 -0.499
+ 0.250000 24 -0.419 0.106
+ 0.250000 25 0.331 0.324
+ 0.250000 26 0.093 0.551
+ 0.250000 27 0.331 0.324
+ 0.250000 28 -0.403 -0.065
+ 0.250000 29 -0.350 -0.295
+ 0.250000 30 -0.383 -0.380
+ 0.250000 31 0.358 0.070
+ 0.250000 32 -0.063 -0.041
+ 0.300000 0 -0.481 2.146
+ 0.300000 1 -0.416 -2.343
+ 0.300000 2 -1.799 -4.986
+ 0.300000 3 0.481 -2.146
+ 0.300000 4 0.416 2.343
+ 0.300000 5 1.799 4.986
+ 0.300000 6 -1.333 -0.549
+ 0.300000 7 0.155 0.945
+ 0.300000 8 0.782 1.812
+ 0.300000 9 1.333 0.549
+ 0.300000 10 -0.155 -0.945
+ 0.300000 11 -0.782 -1.812
+ 0.300000 12 0.153 1.430
+ 0.300000 13 -1.398 -1.707
+ 0.300000 14 0.122 0.023
+ 0.300000 15 -0.153 -1.430
+ 0.300000 16 1.398 1.707
+ 0.300000 17 -0.122 -0.023
+ 0.300000 18 0.054 -1.067
+ 0.300000 19 -0.035 -0.351
+ 0.300000 20 1.784 0.072
+ 0.300000 21 -0.054 1.067
+ 0.300000 22 0.035 0.351
+ 0.300000 23 -1.784 -0.072
+ 0.300000 24 0.245 0.462
+ 0.300000 25 0.014 0.202
+ 0.300000 26 0.376 0.868
+ 0.300000 27 0.014 0.202
+ 0.300000 28 0.181 0.200
+ 0.300000 29 0.042 0.086
+ 0.300000 30 0.016 0.494
+ 0.300000 31 -0.135 -0.487
+ 0.300000 32 0.004 -0.661
+ 0.350000 0 -1.258 -1.583
+ 0.350000 1 0.923 0.686
+ 0.350000 2 1.526 0.662
+ 0.350000 3 1.258 1.583
+ 0.350000 4 -0.923 -0.686
+ 0.350000 5 -1.526 -0.662
+ 0.350000 6 3.529 9.764
+ 0.350000 7 3.552 -3.365
+ 0.350000 8 4.633 3.982
+ 0.350000 9 -3.529 -9.765
+ 0.350000 10 -3.552 3.365
+ 0.350000 11 -4.633 -3.983
+ 0.350000 12 -1.763 -1.178
+ 0.350000 13 0.427 1.685
+ 0.350000 14 0.136 -0.335
+ 0.350000 15 1.763 1.178
+ 0.350000 16 -0.427 -1.685
+ 0.350000 17 -0.136 0.335
+ 0.350000 18 -0.961 -0.279
+ 0.350000 19 -0.271 -0.598
+ 0.350000 20 -1.468 0.403
+ 0.350000 21 0.961 0.279
+ 0.350000 22 0.271 0.598
+ 0.350000 23 1.468 -0.403
+ 0.350000 24 0.354 -0.095
+ 0.350000 25 0.356 0.831
+ 0.350000 26 0.565 0.180
+ 0.350000 27 0.356 0.831
+ 0.350000 28 0.363 0.068
+ 0.350000 29 0.540 0.479
+ 0.350000 30 -0.393 0.193
+ 0.350000 31 0.282 -0.462
+ 0.350000 32 0.256 0.027
+ 0.400000 0 1.902 -0.408
+ 0.400000 1 1.387 3.555
+ 0.400000 2 5.066 -0.076
+ 0.400000 3 -1.902 0.407
+ 0.400000 4 -1.387 -3.555
+ 0.400000 5 -5.066 0.076
+ 0.400000 6 -1.758 -1.951
+ 0.400000 7 1.951 1.860
+ 0.400000 8 0.183 -1.615
+ 0.400000 9 1.758 1.951
+ 0.400000 10 -1.951 -1.860
+ 0.400000 11 -0.183 1.615
+ 0.400000 12 -0.554 -1.591
+ 0.400000 13 -1.193 -1.829
+ 0.400000 14 0.447 -0.342
+ 0.400000 15 0.554 1.591
+ 0.400000 16 1.193 1.829
+ 0.400000 17 -0.447 0.342
+ 0.400000 18 1.818 2.255
+ 0.400000 19 -0.870 -2.586
+ 0.400000 20 4.981 9.253
+ 0.400000 21 -1.818 -2.255
+ 0.400000 22 0.870 2.586
+ 0.400000 23 -4.981 -9.253
+ 0.400000 24 0.059 -0.051
+ 0.400000 25 0.134 0.375
+ 0.400000 26 -0.008 -0.132
+ 0.400000 27 0.134 0.375
+ 0.400000 28 0.033 0.109
+ 0.400000 29 0.927 0.956
+ 0.400000 30 -0.169 -0.094
+ 0.400000 31 0.365 0.240
+ 0.400000 32 0.022 -0.059
+ 0.450000 0 -1.370 -3.300
+ 0.450000 1 1.286 1.314
+ 0.450000 2 -3.050 -0.217
+ 0.450000 3 1.370 3.300
+ 0.450000 4 -1.286 -1.314
+ 0.450000 5 3.050 0.216
+ 0.450000 6 1.059 10.109
+ 0.450000 7 0.500 -11.646
+ 0.450000 8 9.877 13.612
+ 0.450000 9 -1.059 -10.109
+ 0.450000 10 -0.500 11.647
+ 0.450000 11 -9.877 -13.613
+ 0.450000 12 -4.128 -6.193
+ 0.450000 13 -2.532 -1.685
+ 0.450000 14 -3.142 1.464
+ 0.450000 15 4.128 6.193
+ 0.450000 16 2.532 1.685
+ 0.450000 17 3.142 -1.464
+ 0.450000 18 0.370 -2.167
+ 0.450000 19 -1.456 5.146
+ 0.450000 20 3.623 1.377
+ 0.450000 21 -0.370 2.167
+ 0.450000 22 1.456 -5.147
+ 0.450000 23 -3.623 -1.377
+ 0.450000 24 0.160 -0.105
+ 0.450000 25 0.280 0.713
+ 0.450000 26 -0.935 -0.904
+ 0.450000 27 0.280 0.713
+ 0.450000 28 0.212 0.006
+ 0.450000 29 -0.531 -0.744
+ 0.450000 30 -0.242 -0.873
+ 0.450000 31 -0.213 0.135
+ 0.450000 32 0.273 0.099
+ 0.500000 0 -1.316 -0.162
+ 0.500000 1 0.019 0.114
+ 0.500000 2 1.932 -0.142
+ 0.500000 3 1.316 0.162
+ 0.500000 4 -0.019 -0.114
+ 0.500000 5 -1.932 0.141
+ 0.500000 6 3.015 4.029
+ 0.500000 7 -4.047 -7.157
+ 0.500000 8 1.245 -0.775
+ 0.500000 9 -3.015 -4.029
+ 0.500000 10 4.047 7.158
+ 0.500000 11 -1.245 0.775
+ 0.500000 12 -0.751 -0.659
+ 0.500000 13 0.308 -0.221
+ 0.500000 14 1.674 3.434
+ 0.500000 15 0.751 0.659
+ 0.500000 16 -0.308 0.221
+ 0.500000 17 -1.674 -3.434
+ 0.500000 18 -1.578 -1.675
+ 0.500000 19 4.106 4.109
+ 0.500000 20 -1.397 -4.292
+ 0.500000 21 1.578 1.675
+ 0.500000 22 -4.106 -4.109
+ 0.500000 23 1.397 4.292
+ 0.500000 24 0.044 0.220
+ 0.500000 25 0.083 0.208
+ 0.500000 26 -0.119 -0.010
+ 0.500000 27 0.083 0.208
+ 0.500000 28 0.096 -0.274
+ 0.500000 29 -0.133 -0.125
+ 0.500000 30 -0.138 -0.307
+ 0.500000 31 -0.158 0.141
+ 0.500000 32 0.082 0.054
+ 0.550000 0 1.360 -0.327
+ 0.550000 1 0.112 0.845
+ 0.550000 2 -2.445 -0.317
+ 0.550000 3 -1.360 0.327
+ 0.550000 4 -0.112 -0.845
+ 0.550000 5 2.445 0.316
+ 0.550000 6 0.778 3.784
+ 0.550000 7 -2.388 -4.782
+ 0.550000 8 -1.551 -2.361
+ 0.550000 9 -0.778 -3.784
+ 0.550000 10 2.388 4.782
+ 0.550000 11 1.551 2.361
+ 0.550000 12 0.088 -1.034
+ 0.550000 13 -0.509 1.836
+ 0.550000 14 1.692 3.569
+ 0.550000 15 -0.088 1.034
+ 0.550000 16 0.509 -1.836
+ 0.550000 17 -1.692 -3.569
+ 0.550000 18 -0.106 0.906
+ 0.550000 19 0.004 -0.181
+ 0.550000 20 -3.157 -0.694
+ 0.550000 21 0.106 -0.906
+ 0.550000 22 -0.004 0.181
+ 0.550000 23 3.157 0.694
+ 0.550000 24 0.220 0.173
+ 0.550000 25 0.105 0.095
+ 0.550000 26 0.074 -0.675
+ 0.550000 27 0.105 0.095
+ 0.550000 28 -0.297 -0.227
+ 0.550000 29 0.037 0.331
+ 0.550000 30 -0.161 -0.133
+ 0.550000 31 0.233 0.342
+ 0.550000 32 -0.064 0.053
diff --git a/regtest/basic/rt64-mpi/plumed.dat b/regtest/basic/rt64-mpi/plumed.dat
new file mode 100644
index 0000000000000000000000000000000000000000..0abdc1ec86419ead420473330c34a8aa7fb08638
--- /dev/null
+++ b/regtest/basic/rt64-mpi/plumed.dat
@@ -0,0 +1,52 @@
+
+RDC ...
+ENSEMBLE
+LABEL=rdca
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+... RDC
+
+RDC ...
+ENSEMBLE
+LABEL=rdcan
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+NUMERICAL_DERIVATIVES
+... RDC
+
+RDC ...
+ENSEMBLE
+LABEL=rdcb
+CORRELATION
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+... RDC
+
+RDC ...
+ENSEMBLE
+LABEL=rdcbn
+CORRELATION
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+NUMERICAL_DERIVATIVES
+... RDC
+
+DUMPDERIVATIVES ARG=rdca,rdcan STRIDE=1 FILE=deriva FMT=%8.3f
+DUMPDERIVATIVES ARG=rdcb,rdcbn STRIDE=1 FILE=derivb FMT=%8.3f
+PRINT ARG=rdca,rdcb FILE=COLVAR STRIDE=1
diff --git a/regtest/basic/rt64/COLVAR.reference b/regtest/basic/rt64/COLVAR.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c142d3eff54e5a4cf34c923027d313c72e50d7be
--- /dev/null
+++ b/regtest/basic/rt64/COLVAR.reference
@@ -0,0 +1,6 @@
+#! FIELDS time rdca rdcb
+ 0.000000 1.001294 0.010083
+ 0.050000 1.001626 0.004893
+ 0.100000 1.001817 -0.038318
+ 0.150000 1.001891 -0.058424
+ 0.200000 1.001670 -0.000465
diff --git a/regtest/basic/rt64/Makefile b/regtest/basic/rt64/Makefile
new file mode 100644
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/basic/rt64/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt64/config b/regtest/basic/rt64/config
new file mode 100644
index 0000000000000000000000000000000000000000..93eec1593822bc2d842b6875531d2c58bc386d3b
--- /dev/null
+++ b/regtest/basic/rt64/config
@@ -0,0 +1,2 @@
+type=driver
+arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz"
diff --git a/regtest/basic/rt64/deriva.reference b/regtest/basic/rt64/deriva.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c301def039b2661bb92a95cf597d0d592462748d
--- /dev/null
+++ b/regtest/basic/rt64/deriva.reference
@@ -0,0 +1,166 @@
+#! FIELDS time parameter rdca rdcan
+ 0.000000 0 0.0001 0.0001
+ 0.000000 1 -0.0013 -0.0013
+ 0.000000 2 -0.0007 -0.0007
+ 0.000000 3 -0.0001 -0.0001
+ 0.000000 4 0.0013 0.0013
+ 0.000000 5 0.0007 0.0007
+ 0.000000 6 0.0015 0.0015
+ 0.000000 7 0.0016 0.0016
+ 0.000000 8 -0.0003 -0.0003
+ 0.000000 9 -0.0015 -0.0015
+ 0.000000 10 -0.0016 -0.0016
+ 0.000000 11 0.0003 0.0003
+ 0.000000 12 0.0018 0.0018
+ 0.000000 13 0.0020 0.0020
+ 0.000000 14 0.0003 0.0003
+ 0.000000 15 -0.0018 -0.0018
+ 0.000000 16 -0.0020 -0.0020
+ 0.000000 17 -0.0003 -0.0003
+ 0.000000 18 -0.0033 -0.0033
+ 0.000000 19 -0.0002 -0.0002
+ 0.000000 20 0.0020 0.0020
+ 0.000000 21 0.0033 0.0033
+ 0.000000 22 0.0002 0.0002
+ 0.000000 23 -0.0020 -0.0020
+ 0.000000 24 -0.0002 -0.0002
+ 0.000000 25 0.0028 0.0028
+ 0.000000 26 0.0018 0.0018
+ 0.000000 27 0.0028 0.0028
+ 0.000000 28 0.0020 0.0020
+ 0.000000 29 -0.0005 -0.0005
+ 0.000000 30 -0.0027 -0.0027
+ 0.000000 31 0.0008 0.0008
+ 0.000000 32 0.0021 0.0021
+ 0.050000 0 0.0001 0.0001
+ 0.050000 1 -0.0012 -0.0012
+ 0.050000 2 -0.0008 -0.0008
+ 0.050000 3 -0.0001 -0.0001
+ 0.050000 4 0.0012 0.0012
+ 0.050000 5 0.0008 0.0008
+ 0.050000 6 0.0018 0.0018
+ 0.050000 7 0.0021 0.0021
+ 0.050000 8 -0.0006 -0.0006
+ 0.050000 9 -0.0018 -0.0018
+ 0.050000 10 -0.0021 -0.0021
+ 0.050000 11 0.0006 0.0006
+ 0.050000 12 0.0016 0.0016
+ 0.050000 13 0.0020 0.0020
+ 0.050000 14 0.0006 0.0006
+ 0.050000 15 -0.0016 -0.0016
+ 0.050000 16 -0.0020 -0.0020
+ 0.050000 17 -0.0006 -0.0006
+ 0.050000 18 -0.0029 -0.0029
+ 0.050000 19 -0.0004 -0.0004
+ 0.050000 20 0.0025 0.0025
+ 0.050000 21 0.0029 0.0029
+ 0.050000 22 0.0004 0.0004
+ 0.050000 23 -0.0025 -0.0025
+ 0.050000 24 -0.0001 -0.0001
+ 0.050000 25 0.0028 0.0028
+ 0.050000 26 0.0024 0.0024
+ 0.050000 27 0.0028 0.0028
+ 0.050000 28 0.0025 0.0025
+ 0.050000 29 -0.0004 -0.0004
+ 0.050000 30 -0.0022 -0.0022
+ 0.050000 31 0.0007 0.0007
+ 0.050000 32 0.0026 0.0026
+ 0.100000 0 0.0000 0.0000
+ 0.100000 1 -0.0014 -0.0014
+ 0.100000 2 -0.0008 -0.0008
+ 0.100000 3 -0.0000 -0.0000
+ 0.100000 4 0.0014 0.0014
+ 0.100000 5 0.0008 0.0008
+ 0.100000 6 0.0019 0.0019
+ 0.100000 7 0.0026 0.0026
+ 0.100000 8 -0.0008 -0.0008
+ 0.100000 9 -0.0019 -0.0019
+ 0.100000 10 -0.0026 -0.0026
+ 0.100000 11 0.0008 0.0008
+ 0.100000 12 0.0015 0.0015
+ 0.100000 13 0.0020 0.0020
+ 0.100000 14 0.0009 0.0009
+ 0.100000 15 -0.0015 -0.0015
+ 0.100000 16 -0.0020 -0.0020
+ 0.100000 17 -0.0009 -0.0009
+ 0.100000 18 -0.0027 -0.0027
+ 0.100000 19 -0.0004 -0.0004
+ 0.100000 20 0.0028 0.0028
+ 0.100000 21 0.0027 0.0027
+ 0.100000 22 0.0004 0.0004
+ 0.100000 23 -0.0028 -0.0028
+ 0.100000 24 -0.0002 -0.0002
+ 0.100000 25 0.0027 0.0027
+ 0.100000 26 0.0027 0.0027
+ 0.100000 27 0.0027 0.0027
+ 0.100000 28 0.0029 0.0029
+ 0.100000 29 -0.0001 -0.0001
+ 0.100000 30 -0.0019 -0.0019
+ 0.100000 31 0.0008 0.0008
+ 0.100000 32 0.0028 0.0028
+ 0.150000 0 -0.0001 -0.0001
+ 0.150000 1 -0.0014 -0.0014
+ 0.150000 2 -0.0007 -0.0007
+ 0.150000 3 0.0001 0.0001
+ 0.150000 4 0.0014 0.0014
+ 0.150000 5 0.0007 0.0007
+ 0.150000 6 0.0018 0.0018
+ 0.150000 7 0.0029 0.0029
+ 0.150000 8 -0.0006 -0.0006
+ 0.150000 9 -0.0018 -0.0018
+ 0.150000 10 -0.0029 -0.0029
+ 0.150000 11 0.0006 0.0006
+ 0.150000 12 0.0016 0.0016
+ 0.150000 13 0.0023 0.0023
+ 0.150000 14 0.0012 0.0012
+ 0.150000 15 -0.0016 -0.0016
+ 0.150000 16 -0.0023 -0.0023
+ 0.150000 17 -0.0012 -0.0012
+ 0.150000 18 -0.0030 -0.0030
+ 0.150000 19 -0.0005 -0.0005
+ 0.150000 20 0.0031 0.0031
+ 0.150000 21 0.0030 0.0030
+ 0.150000 22 0.0005 0.0005
+ 0.150000 23 -0.0031 -0.0031
+ 0.150000 24 -0.0006 -0.0006
+ 0.150000 25 0.0026 0.0026
+ 0.150000 26 0.0031 0.0031
+ 0.150000 27 0.0026 0.0026
+ 0.150000 28 0.0034 0.0034
+ 0.150000 29 0.0005 0.0005
+ 0.150000 30 -0.0018 -0.0018
+ 0.150000 31 0.0010 0.0010
+ 0.150000 32 0.0029 0.0029
+ 0.200000 0 -0.0001 -0.0001
+ 0.200000 1 -0.0013 -0.0013
+ 0.200000 2 -0.0007 -0.0007
+ 0.200000 3 0.0001 0.0001
+ 0.200000 4 0.0013 0.0013
+ 0.200000 5 0.0007 0.0007
+ 0.200000 6 0.0014 0.0014
+ 0.200000 7 0.0024 0.0024
+ 0.200000 8 -0.0005 -0.0005
+ 0.200000 9 -0.0014 -0.0014
+ 0.200000 10 -0.0024 -0.0024
+ 0.200000 11 0.0005 0.0005
+ 0.200000 12 0.0016 0.0016
+ 0.200000 13 0.0024 0.0024
+ 0.200000 14 0.0016 0.0016
+ 0.200000 15 -0.0016 -0.0016
+ 0.200000 16 -0.0024 -0.0024
+ 0.200000 17 -0.0016 -0.0016
+ 0.200000 18 -0.0041 -0.0041
+ 0.200000 19 -0.0008 -0.0008
+ 0.200000 20 0.0034 0.0034
+ 0.200000 21 0.0041 0.0041
+ 0.200000 22 0.0008 0.0008
+ 0.200000 23 -0.0034 -0.0034
+ 0.200000 24 -0.0015 -0.0015
+ 0.200000 25 0.0022 0.0022
+ 0.200000 26 0.0035 0.0035
+ 0.200000 27 0.0022 0.0022
+ 0.200000 28 0.0033 0.0033
+ 0.200000 29 0.0009 0.0009
+ 0.200000 30 -0.0025 -0.0025
+ 0.200000 31 0.0008 0.0008
+ 0.200000 32 0.0032 0.0032
diff --git a/regtest/basic/rt64/derivb.reference b/regtest/basic/rt64/derivb.reference
new file mode 100644
index 0000000000000000000000000000000000000000..7691a5ad74012bac0b557d7d20c5ddff4450d989
--- /dev/null
+++ b/regtest/basic/rt64/derivb.reference
@@ -0,0 +1,166 @@
+#! FIELDS time parameter rdcb rdcbn
+ 0.000000 0 0.1096 0.1096
+ 0.000000 1 -1.1981 -1.1981
+ 0.000000 2 -0.6885 -0.6885
+ 0.000000 3 -0.1096 -0.1096
+ 0.000000 4 1.1981 1.1981
+ 0.000000 5 0.6885 0.6885
+ 0.000000 6 0.2983 0.2983
+ 0.000000 7 0.3200 0.3200
+ 0.000000 8 -0.0539 -0.0539
+ 0.000000 9 -0.2983 -0.2983
+ 0.000000 10 -0.3200 -0.3200
+ 0.000000 11 0.0539 0.0539
+ 0.000000 12 -0.2768 -0.2768
+ 0.000000 13 -0.3014 -0.3014
+ 0.000000 14 -0.0419 -0.0419
+ 0.000000 15 0.2768 0.2768
+ 0.000000 16 0.3014 0.3014
+ 0.000000 17 0.0419 0.0419
+ 0.000000 18 1.1783 1.1783
+ 0.000000 19 0.0797 0.0797
+ 0.000000 20 -0.6943 -0.6943
+ 0.000000 21 -1.1783 -1.1783
+ 0.000000 22 -0.0797 -0.0797
+ 0.000000 23 0.6943 0.6943
+ 0.000000 24 1.0325 1.0325
+ 0.000000 25 0.1747 0.1747
+ 0.000000 26 -0.6280 -0.6280
+ 0.000000 27 0.1747 0.1747
+ 0.000000 28 -1.0317 -1.0317
+ 0.000000 29 -0.7231 -0.7231
+ 0.000000 30 0.8043 0.8043
+ 0.000000 31 0.9700 0.9700
+ 0.000000 32 -0.0008 -0.0008
+ 0.050000 0 0.1350 0.1350
+ 0.050000 1 -1.1241 -1.1241
+ 0.050000 2 -0.7621 -0.7621
+ 0.050000 3 -0.1350 -0.1350
+ 0.050000 4 1.1241 1.1241
+ 0.050000 5 0.7621 0.7621
+ 0.050000 6 0.3489 0.3489
+ 0.050000 7 0.4127 0.4127
+ 0.050000 8 -0.1170 -0.1170
+ 0.050000 9 -0.3489 -0.3489
+ 0.050000 10 -0.4127 -0.4127
+ 0.050000 11 0.1170 0.1170
+ 0.050000 12 -0.2496 -0.2496
+ 0.050000 13 -0.3013 -0.3013
+ 0.050000 14 -0.0941 -0.0941
+ 0.050000 15 0.2496 0.2496
+ 0.050000 16 0.3013 0.3013
+ 0.050000 17 0.0941 0.0941
+ 0.050000 18 1.0566 1.0566
+ 0.050000 19 0.1344 0.1344
+ 0.050000 20 -0.9074 -0.9074
+ 0.050000 21 -1.0566 -1.0566
+ 0.050000 22 -0.1344 -0.1344
+ 0.050000 23 0.9074 0.9074
+ 0.050000 24 0.9840 0.9840
+ 0.050000 25 0.3020 0.3020
+ 0.050000 26 -0.8822 -0.8822
+ 0.050000 27 0.3020 0.3020
+ 0.050000 28 -0.9083 -0.9083
+ 0.050000 29 -0.9607 -0.9607
+ 0.050000 30 0.6122 0.6122
+ 0.050000 31 0.8950 0.8950
+ 0.050000 32 -0.0757 -0.0757
+ 0.100000 0 0.0262 0.0262
+ 0.100000 1 -1.1501 -1.1501
+ 0.100000 2 -0.6448 -0.6448
+ 0.100000 3 -0.0262 -0.0262
+ 0.100000 4 1.1501 1.1501
+ 0.100000 5 0.6448 0.6448
+ 0.100000 6 0.3951 0.3951
+ 0.100000 7 0.5323 0.5323
+ 0.100000 8 -0.1645 -0.1645
+ 0.100000 9 -0.3951 -0.3951
+ 0.100000 10 -0.5323 -0.5323
+ 0.100000 11 0.1645 0.1645
+ 0.100000 12 -0.1975 -0.1975
+ 0.100000 13 -0.2641 -0.2641
+ 0.100000 14 -0.1170 -0.1170
+ 0.100000 15 0.1975 0.1975
+ 0.100000 16 0.2641 0.2641
+ 0.100000 17 0.1170 0.1170
+ 0.100000 18 0.9223 0.9223
+ 0.100000 19 0.1398 0.1398
+ 0.100000 20 -0.9413 -0.9413
+ 0.100000 21 -0.9223 -0.9223
+ 0.100000 22 -0.1398 -0.1398
+ 0.100000 23 0.9413 0.9413
+ 0.100000 24 0.9326 0.9326
+ 0.100000 25 0.2930 0.2930
+ 0.100000 26 -1.0167 -1.0167
+ 0.100000 27 0.2930 0.2930
+ 0.100000 28 -0.7685 -0.7685
+ 0.100000 29 -0.9300 -0.9300
+ 0.100000 30 0.5650 0.5650
+ 0.100000 31 0.9019 0.9019
+ 0.100000 32 -0.1641 -0.1641
+ 0.150000 0 -0.0765 -0.0765
+ 0.150000 1 -1.0968 -1.0968
+ 0.150000 2 -0.5253 -0.5253
+ 0.150000 3 0.0765 0.0765
+ 0.150000 4 1.0968 1.0968
+ 0.150000 5 0.5253 0.5253
+ 0.150000 6 0.3654 0.3654
+ 0.150000 7 0.5841 0.5841
+ 0.150000 8 -0.1220 -0.1220
+ 0.150000 9 -0.3654 -0.3654
+ 0.150000 10 -0.5841 -0.5841
+ 0.150000 11 0.1220 0.1220
+ 0.150000 12 -0.1863 -0.1863
+ 0.150000 13 -0.2691 -0.2691
+ 0.150000 14 -0.1404 -0.1404
+ 0.150000 15 0.1863 0.1863
+ 0.150000 16 0.2691 0.2691
+ 0.150000 17 0.1404 0.1404
+ 0.150000 18 0.9580 0.9580
+ 0.150000 19 0.1605 0.1605
+ 0.150000 20 -0.9826 -0.9826
+ 0.150000 21 -0.9580 -0.9580
+ 0.150000 22 -0.1605 -0.1605
+ 0.150000 23 0.9826 0.9826
+ 0.150000 24 0.9140 0.9140
+ 0.150000 25 0.2229 0.2229
+ 0.150000 26 -1.0500 -1.0500
+ 0.150000 27 0.2229 0.2229
+ 0.150000 28 -0.6422 -0.6422
+ 0.150000 29 -0.8291 -0.8291
+ 0.150000 30 0.6650 0.6650
+ 0.150000 31 0.8990 0.8990
+ 0.150000 32 -0.2718 -0.2718
+ 0.200000 0 -0.0730 -0.0730
+ 0.200000 1 -1.0557 -1.0557
+ 0.200000 2 -0.6052 -0.6052
+ 0.200000 3 0.0730 0.0730
+ 0.200000 4 1.0557 1.0557
+ 0.200000 5 0.6052 0.6052
+ 0.200000 6 0.2660 0.2660
+ 0.200000 7 0.4463 0.4463
+ 0.200000 8 -0.0956 -0.0956
+ 0.200000 9 -0.2660 -0.2660
+ 0.200000 10 -0.4463 -0.4463
+ 0.200000 11 0.0956 0.0956
+ 0.200000 12 -0.2222 -0.2222
+ 0.200000 13 -0.3338 -0.3338
+ 0.200000 14 -0.2242 -0.2242
+ 0.200000 15 0.2222 0.2222
+ 0.200000 16 0.3338 0.3338
+ 0.200000 17 0.2242 0.2242
+ 0.200000 18 1.3386 1.3386
+ 0.200000 19 0.2462 0.2462
+ 0.200000 20 -1.1215 -1.1215
+ 0.200000 21 -1.3386 -1.3386
+ 0.200000 22 -0.2462 -0.2462
+ 0.200000 23 1.1215 1.1215
+ 0.200000 24 1.0949 1.0949
+ 0.200000 25 0.1799 0.1799
+ 0.200000 26 -1.1392 -1.1392
+ 0.200000 27 0.1799 0.1799
+ 0.200000 28 -0.7814 -0.7814
+ 0.200000 29 -0.9965 -0.9965
+ 0.200000 30 0.8990 0.8990
+ 0.200000 31 0.9051 0.9051
+ 0.200000 32 -0.3135 -0.3135
diff --git a/regtest/basic/rt64/plumed.dat b/regtest/basic/rt64/plumed.dat
new file mode 100644
index 0000000000000000000000000000000000000000..196ce12d3b855f6664ef6305254ad0027f8165b2
--- /dev/null
+++ b/regtest/basic/rt64/plumed.dat
@@ -0,0 +1,48 @@
+
+RDC ...
+LABEL=rdca
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+... RDC
+
+RDC ...
+LABEL=rdcan
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+NUMERICAL_DERIVATIVES
+... RDC
+
+RDC ...
+LABEL=rdcb
+CORRELATION
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+... RDC
+
+RDC ...
+LABEL=rdcbn
+CORRELATION
+SCALE=0.001
+GYROM=-72.5388
+ATOMS1=22,23 COUPLING1=1.9190
+ATOMS2=25,27 COUPLING2=2.9190
+ATOMS3=29,31 COUPLING3=3.9190
+ATOMS4=33,34 COUPLING4=4.9190
+NUMERICAL_DERIVATIVES
+... RDC
+
+DUMPDERIVATIVES ARG=rdca,rdcan STRIDE=1 FILE=deriva FMT=%8.4f
+DUMPDERIVATIVES ARG=rdcb,rdcbn STRIDE=1 FILE=derivb FMT=%8.4f
+PRINT ARG=rdca,rdcb FILE=COLVAR STRIDE=1
diff --git a/regtest/basic/rt64/trajectory.xyz b/regtest/basic/rt64/trajectory.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f3c9dd5868136191179fb021943d4e180f1e7c1a
--- /dev/null
+++ b/regtest/basic/rt64/trajectory.xyz
@@ -0,0 +1,550 @@
+ 108
+ 5.03880000000000 5.03880000000000 5.03880000000000
+ Ar -3.442612640030015E-002 -3.038146094065802E-003 8.961853877526049E-003
+ Ar 0.912465016333831 -1.524861115033656E-002 0.844060122693179
+ Ar 0.832342813262219 0.848949986466364 4.278373810313130E-002
+ Ar 3.527583123517383E-002 0.896047934140808 0.795328840291565
+ Ar -1.888111290252139E-003 4.453056230294513E-002 1.62162507464617
+ Ar 0.860851777160665 4.089630217237031E-002 2.48983344757901
+ Ar 0.854675871454438 0.842986941975215 1.66825869975346
+ Ar -1.030990630180061E-002 0.815049429651274 2.52945420325888
+ Ar -8.659954805468062E-002 1.618984616300863E-002 3.35333175349348
+ Ar 0.778131911975841 1.387616841389597E-002 4.21637195948668
+ Ar 0.865155457459360 0.873706622830978 3.34626927909694
+ Ar -3.351170880784502E-002 0.885553892309336 4.19747894997376
+ Ar 4.408552976870550E-002 1.64473372507317 2.290279582244573E-002
+ Ar 0.778415348285367 1.69954412549695 0.809298967916912
+ Ar 0.856213021267037 2.52777984029678 -3.801448288521334E-002
+ Ar 3.409326258267278E-002 2.52009970995135 0.804349094056468
+ Ar -3.426426457643049E-002 1.67868883407254 1.75982097552947
+ Ar 0.746589855418663 1.61255961316801 2.48245491178172
+ Ar 0.849271549265006 2.53739762198202 1.76435399070251
+ Ar 7.595908452347980E-002 2.57815418930402 2.55008802855880
+ Ar 0.118863516214891 1.68026001160674 3.36587169083491
+ Ar 0.916528735571405 1.70117523367727 4.20910434627634
+ Ar 0.836893393788335 2.57172180865294 3.42822179400943
+ Ar 5.307803974735541E-002 2.47426244975434 4.10421864334256
+ Ar 8.247899807300250E-002 3.32430194583624 -3.030789960261682E-003
+ Ar 0.837058668736381 3.32743550749273 0.819463124350271
+ Ar 0.874507592319224 4.17406598848833 -5.049746621739468E-002
+ Ar 9.386898128787177E-003 4.26816342296589 0.872165804097830
+ Ar 4.404339954918610E-002 3.35586532045936 1.60400663742922
+ Ar 0.776236413001911 3.35077289676427 2.51493417072403
+ Ar 0.852959576504380 4.23650724963146 1.64462904064498
+ Ar 2.974596551501955E-002 4.18819233240482 2.50229559492992
+ Ar -2.112318428533188E-002 3.28394181281190 3.40201122162849
+ Ar 0.852076889746506 3.34298440154520 4.17876596901595
+ Ar 0.834533475401307 4.19723745272282 3.27617753894577
+ Ar -1.651879036046454E-002 4.18542539937895 4.15648362726527
+ Ar 1.57725865907484 -7.334369139100680E-002 -6.909913841254477E-003
+ Ar 2.50309292154114 -6.415773756082110E-002 0.948121122158981
+ Ar 2.62248493408315 0.833291833341992 2.315098569680403E-002
+ Ar 1.75371633482631 0.798792471538265 0.820577249620091
+ Ar 1.71676101014758 1.119682216865766E-002 1.73097663416294
+ Ar 2.46201644698870 -2.936225343420254E-002 2.47902634148169
+ Ar 2.55203408445186 0.838434770610683 1.64639149287676
+ Ar 1.73675854946897 0.848178489691560 2.57066976560053
+ Ar 1.76857983777137 -1.429664069675850E-002 3.40806978590743
+ Ar 2.52716217395779 3.976167228610505E-002 4.23120467974686
+ Ar 2.51218481978332 0.838608102726235 3.43629390544535
+ Ar 1.65648032869933 0.917797318187643 4.20115948481197
+ Ar 1.69380964888396 1.70694435022641 -1.188118819872011E-002
+ Ar 2.58773524785666 1.66750428174081 0.877214331967462
+ Ar 2.54335983229385 2.49974109154708 1.862717341398370E-002
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