diff --git a/regtest/mapping/rt-adapt/Makefile b/regtest/mapping/rt-adapt/Makefile
new file mode 100755
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/mapping/rt-adapt/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/mapping/rt-adapt/colvar.reference b/regtest/mapping/rt-adapt/colvar.reference
new file mode 100644
index 0000000000000000000000000000000000000000..e7bc2309e32399e14338736fe6e1068535d83754
--- /dev/null
+++ b/regtest/mapping/rt-adapt/colvar.reference
@@ -0,0 +1,102 @@
+#! FIELDS time d1.x d1.y pp.gspath pp.gzpath
+ 0.000000 0.0000 0.0000 0.1980 0.4534
+ 1.000000 -0.0017 -0.0004 0.1984 0.4550
+ 2.000000 -0.0031 -0.0003 0.1989 0.4560
+ 3.000000 -0.0042 0.0004 0.1995 0.4563
+ 4.000000 -0.0051 0.0012 0.2001 0.4565
+ 5.000000 -0.0070 0.0023 0.2011 0.4572
+ 6.000000 -0.0085 0.0038 0.2022 0.4574
+ 7.000000 -0.0100 0.0052 0.2033 0.4576
+ 8.000000 -0.0111 0.0068 0.2042 0.4573
+ 9.000000 -0.0128 0.0080 0.2052 0.4579
+ 10.000000 -0.0139 0.0097 0.2063 0.4576
+ 11.000000 -0.0137 0.0117 0.2069 0.4561
+ 12.000000 -0.0129 0.0138 0.2075 0.4542
+ 13.000000 -0.0116 0.0155 0.2077 0.4520
+ 14.000000 -0.0099 0.0177 0.2080 0.4493
+ 15.000000 -0.0081 0.0199 0.2082 0.4465
+ 16.000000 -0.0058 0.0223 0.2084 0.4432
+ 17.000000 -0.0036 0.0243 0.2084 0.4402
+ 18.000000 -0.0015 0.0261 0.2084 0.4374
+ 19.000000 0.0000 0.0273 0.2084 0.4355
+ 20.000000 0.0026 0.0283 0.2079 0.4329
+ 21.000000 0.0052 0.0291 0.2073 0.4304
+ 22.000000 0.0084 0.0300 0.2066 0.4274
+ 23.000000 0.0122 0.0311 0.2058 0.4238
+ 24.000000 0.0160 0.0326 0.2051 0.4200
+ 25.000000 0.0203 0.0344 0.2044 0.4155
+ 26.000000 0.0248 0.0362 0.2035 0.4109
+ 27.000000 0.0294 0.0384 0.2029 0.4060
+ 28.000000 0.0340 0.0411 0.2024 0.4009
+ 29.000000 0.0379 0.0443 0.2023 0.3957
+ 30.000000 0.0422 0.0482 0.2024 0.3900
+ 31.000000 0.0467 0.0519 0.2023 0.3841
+ 32.000000 0.0514 0.0559 0.2023 0.3779
+ 33.000000 0.0566 0.0598 0.2021 0.3715
+ 34.000000 0.0614 0.0636 0.2019 0.3654
+ 35.000000 0.0665 0.0672 0.2016 0.3592
+ 36.000000 0.0713 0.0708 0.2014 0.3532
+ 37.000000 0.0766 0.0738 0.2008 0.3472
+ 38.000000 0.0819 0.0767 0.2001 0.3413
+ 39.000000 0.0871 0.0798 0.1996 0.3353
+ 40.000000 0.0912 0.0832 0.1995 0.3300
+ 41.000000 0.0953 0.0866 0.1995 0.3247
+ 42.000000 0.1005 0.0907 0.1994 0.3181
+ 43.000000 0.1053 0.0947 0.1993 0.3118
+ 44.000000 0.1100 0.0995 0.1996 0.3051
+ 45.000000 0.1152 0.1043 0.1997 0.2980
+ 46.000000 0.1205 0.1096 0.1999 0.2906
+ 47.000000 0.1262 0.1151 0.2001 0.2827
+ 48.000000 0.1316 0.1201 0.2003 0.2753
+ 49.000000 0.1373 0.1249 0.2002 0.2679
+ 50.000000 0.1424 0.1295 0.2003 0.2610
+ 51.000000 0.1474 0.1335 0.2709 0.1568
+ 52.000000 0.1519 0.1376 0.2720 0.1635
+ 53.000000 0.1565 0.1413 0.2727 0.1698
+ 54.000000 0.1613 0.1443 0.2728 0.1755
+ 55.000000 0.1662 0.1470 0.2725 0.1809
+ 56.000000 0.1708 0.1498 0.2726 0.1863
+ 57.000000 0.1761 0.1525 0.2721 0.1920
+ 58.000000 0.1813 0.1549 0.2268 0.1981
+ 59.000000 0.1868 0.1571 0.2228 0.2055
+ 60.000000 0.1915 0.1594 0.2199 0.2118
+ 61.000000 0.1961 0.1623 0.2174 0.2183
+ 62.000000 0.2006 0.1656 0.2151 0.2251
+ 63.000000 0.2055 0.1687 0.2126 0.2319
+ 64.000000 0.2105 0.1714 0.2099 0.2388
+ 65.000000 0.2161 0.1747 0.2071 0.2465
+ 66.000000 0.2214 0.1774 0.2044 0.2535
+ 67.000000 0.2269 0.1798 0.2015 0.2605
+ 68.000000 0.2324 0.1828 0.1987 0.2655
+ 69.000000 0.2377 0.1850 0.1957 0.2667
+ 70.000000 0.2422 0.1872 0.1930 0.2680
+ 71.000000 0.2471 0.1891 0.1488 0.2508
+ 72.000000 0.2516 0.1916 0.1452 0.2533
+ 73.000000 0.2556 0.1935 0.1423 0.2552
+ 74.000000 0.2597 0.1950 0.1395 0.2567
+ 75.000000 0.2637 0.1965 0.1369 0.2582
+ 76.000000 0.2672 0.1978 0.1347 0.2596
+ 77.000000 0.2708 0.1993 0.1325 0.2612
+ 78.000000 0.2741 0.2007 0.1305 0.2626
+ 79.000000 0.2778 0.2012 0.1284 0.2631
+ 80.000000 0.2810 0.2016 0.1266 0.2635
+ 81.000000 0.2843 0.2024 0.1247 0.2644
+ 82.000000 0.2875 0.2029 0.1230 0.2648
+ 83.000000 0.2914 0.2032 0.1209 0.2652
+ 84.000000 0.2956 0.2036 0.1187 0.2656
+ 85.000000 0.2994 0.2046 0.1167 0.2667
+ 86.000000 0.3034 0.2059 0.1145 0.2680
+ 87.000000 0.3081 0.2076 0.1121 0.2697
+ 88.000000 0.3127 0.2092 0.1097 0.2714
+ 89.000000 0.3180 0.2115 0.1069 0.2736
+ 90.000000 0.3230 0.2139 0.1043 0.2761
+ 91.000000 0.3284 0.2170 0.1015 0.2792
+ 92.000000 0.3342 0.2201 0.0985 0.2815
+ 93.000000 0.3396 0.2232 0.0957 0.2831
+ 94.000000 0.3453 0.2266 0.0927 0.2848
+ 95.000000 0.3512 0.2302 0.0895 0.2867
+ 96.000000 0.3563 0.2332 0.0866 0.2883
+ 97.000000 0.3620 0.2354 0.0836 0.2888
+ 98.000000 0.3680 0.2377 0.0802 0.2894
+ 99.000000 0.3742 0.2403 0.0766 0.2902
+ 100.000000 0.3799 0.2432 0.0732 0.2913
diff --git a/regtest/mapping/rt-adapt/config b/regtest/mapping/rt-adapt/config
new file mode 100755
index 0000000000000000000000000000000000000000..7847f3b6f0d3bb031cf252b35e07d3e422f6c1f0
--- /dev/null
+++ b/regtest/mapping/rt-adapt/config
@@ -0,0 +1,2 @@
+type=driver
+arg="--noatoms --plumed plumed.dat"
diff --git a/regtest/mapping/rt-adapt/incolvar b/regtest/mapping/rt-adapt/incolvar
new file mode 100644
index 0000000000000000000000000000000000000000..1b1e93c80962847d48b638bcdf58e79c980d2a4e
--- /dev/null
+++ b/regtest/mapping/rt-adapt/incolvar
@@ -0,0 +1,102 @@
+#! FIELDS time d1.x d1.y ff bb.bias bb.ff_bias pb.s pb.z pp.gspath pp.gzpath mm.bias mm.work
+ 0.000000 0.000000 0.000000 -48.401274 -48.401274 -48.401274 0.197970 0.453413 0.197970 0.453413 0.000000 0.000000
+ 0.001000 -0.001717 -0.000446 -48.146037 -48.146037 -48.146037 0.198366 0.455003 0.198366 0.455003 0.000000 0.000000
+ 0.002000 -0.003122 -0.000324 -47.990324 -47.990324 -47.990324 0.198876 0.455985 0.198876 0.455985 0.000000 0.000000
+ 0.003000 -0.004193 0.000404 -47.940664 -47.940664 -47.940664 0.199507 0.456318 0.199507 0.456318 0.000000 0.000000
+ 0.004000 -0.005131 0.001208 -47.914899 -47.914899 -47.914899 0.200122 0.456500 0.200122 0.456500 0.000000 0.000000
+ 0.005000 -0.006960 0.002255 -47.807571 -47.807571 -47.807571 0.201124 0.457197 0.201124 0.457197 0.000000 0.000000
+ 0.006000 -0.008520 0.003767 -47.781067 -47.781067 -47.781067 0.202215 0.457385 0.202215 0.457385 0.000000 0.000000
+ 0.007000 -0.010010 0.005230 -47.756112 -47.756112 -47.756112 0.203264 0.457553 0.203264 0.457553 0.000000 0.000000
+ 0.008000 -0.011077 0.006775 -47.788511 -47.788511 -47.788511 0.204204 0.457348 0.204204 0.457348 0.000000 0.000000
+ 0.009000 -0.012840 0.007959 -47.699323 -47.699323 -47.699323 0.205236 0.457903 0.205236 0.457903 0.000000 0.000000
+ 0.010000 -0.013923 0.009740 -47.750526 -47.750526 -47.750526 0.206271 0.457556 0.206271 0.457556 0.000000 0.000000
+ 0.011000 -0.013674 0.011689 -47.974953 -47.974953 -47.974953 0.206931 0.456092 0.206931 0.456092 0.000000 0.000000
+ 0.012000 -0.012922 0.013779 -48.270270 -48.270270 -48.270270 0.207479 0.454154 0.207479 0.454154 0.000000 0.000000
+ 0.013000 -0.011595 0.015531 -48.598243 -48.598243 -48.598243 0.207708 0.452004 0.207708 0.452004 0.000000 0.000000
+ 0.014000 -0.009874 0.017705 -49.010533 -49.010533 -49.010533 0.207968 0.449280 0.207968 0.449280 0.000000 0.000000
+ 0.015000 -0.008088 0.019917 -49.430325 -49.430325 -49.430325 0.208221 0.446481 0.208221 0.446481 0.000000 0.000000
+ 0.016000 -0.005833 0.022327 -49.919924 -49.919924 -49.919924 0.208395 0.443199 0.208395 0.443199 0.000000 0.000000
+ 0.017000 -0.003556 0.024273 -50.366174 -50.366174 -50.366174 0.208384 0.440204 0.208384 0.440204 0.000000 0.000000
+ 0.018000 -0.001468 0.026136 -50.779427 -50.779427 -50.779427 0.208404 0.437406 0.208404 0.437406 0.000000 0.000000
+ 0.019000 0.000001 0.027307 -51.056397 -51.056397 -51.056397 0.208366 0.435528 0.208366 0.435528 0.000000 0.000000
+ 0.020000 0.002598 0.028274 -51.449479 -51.449479 -51.449479 0.207876 0.432932 0.207876 0.432932 0.000000 0.000000
+ 0.021000 0.005180 0.029124 -51.830121 -51.830121 -51.830121 0.207348 0.430424 0.207348 0.430424 0.000000 0.000000
+ 0.022000 0.008407 0.029995 -52.289022 -52.289022 -52.289022 0.206615 0.427416 0.206615 0.427416 0.000000 0.000000
+ 0.023000 0.012235 0.031093 -52.838108 -52.838108 -52.838108 0.205770 0.423804 0.205770 0.423804 0.000000 0.000000
+ 0.024000 0.015951 0.032647 -53.409607 -53.409607 -53.409607 0.205136 0.419978 0.205136 0.419978 0.000000 0.000000
+ 0.025000 0.020295 0.034445 -54.073364 -54.073364 -54.073364 0.204387 0.415517 0.204387 0.415517 0.000000 0.000000
+ 0.026000 0.024844 0.036182 -54.753612 -54.753612 -54.753612 0.203547 0.410942 0.203547 0.410942 0.000000 0.000000
+ 0.027000 0.029429 0.038396 -55.470669 -55.470669 -55.470669 0.202877 0.406027 0.202877 0.406027 0.000000 0.000000
+ 0.028000 0.033952 0.041051 -56.206755 -56.206755 -56.206755 0.202396 0.400871 0.202396 0.400871 0.000000 0.000000
+ 0.029000 0.037908 0.044337 -56.911052 -56.911052 -56.911052 0.202342 0.395729 0.202342 0.395729 0.000000 0.000000
+ 0.030000 0.042190 0.048152 -57.677591 -57.677591 -57.677591 0.202381 0.389995 0.202381 0.389995 0.000000 0.000000
+ 0.031000 0.046655 0.051934 -58.448297 -58.448297 -58.448297 0.202348 0.384143 0.202348 0.384143 0.000000 0.000000
+ 0.032000 0.051430 0.055917 -59.251603 -59.251603 -59.251603 0.202288 0.377927 0.202288 0.377927 0.000000 0.000000
+ 0.033000 0.056560 0.059827 -60.074866 -60.074866 -60.074866 0.202084 0.371489 0.202084 0.371489 0.000000 0.000000
+ 0.034000 0.061396 0.063586 -60.838206 -60.838206 -60.838206 0.201920 0.365373 0.201920 0.365373 0.000000 0.000000
+ 0.035000 0.066519 0.067161 -61.609134 -61.609134 -61.609134 0.201591 0.359160 0.201591 0.359160 0.000000 0.000000
+ 0.036000 0.071298 0.070812 -62.327581 -62.327581 -62.327581 0.201404 0.353157 0.201404 0.353157 0.000000 0.000000
+ 0.037000 0.076618 0.073788 -63.063897 -63.063897 -63.063897 0.200781 0.347188 0.200781 0.347188 0.000000 0.000000
+ 0.038000 0.081922 0.076657 -63.781129 -63.781129 -63.781129 0.200123 0.341301 0.200123 0.341301 0.000000 0.000000
+ 0.039000 0.087091 0.079810 -64.479870 -64.479870 -64.479870 0.199618 0.335330 0.199618 0.335330 0.000000 0.000000
+ 0.040000 0.091194 0.083160 -65.050574 -65.050574 -65.050574 0.199540 0.330035 0.199540 0.330035 0.000000 0.000000
+ 0.041000 0.095286 0.086648 -65.609291 -65.609291 -65.609291 0.199518 0.324659 0.199518 0.324659 0.000000 0.000000
+ 0.042000 0.100476 0.090711 -66.287276 -66.287276 -66.287276 0.199352 0.318075 0.199352 0.318075 0.000000 0.000000
+ 0.043000 0.105291 0.094688 -66.900531 -66.900531 -66.900531 0.199278 0.311832 0.199278 0.311832 0.000000 0.000000
+ 0.044000 0.109998 0.099512 -67.495388 -67.495388 -67.495388 0.199561 0.305116 0.199561 0.305116 0.000000 0.000000
+ 0.045000 0.115203 0.104335 -68.115540 -68.115540 -68.115540 0.199680 0.298024 0.199680 0.298024 0.000000 0.000000
+ 0.046000 0.120531 0.109569 -68.723067 -68.723067 -68.723067 0.199914 0.290570 0.199914 0.290570 0.000000 0.000000
+ 0.047000 0.126195 0.115075 -69.332947 -69.332947 -69.332947 0.200142 0.282683 0.200142 0.282683 0.000000 0.000000
+ 0.048000 0.131649 0.120119 -69.886133 -69.886133 -69.886133 0.200262 0.275258 0.200262 0.275258 0.000000 0.000000
+ 0.049000 0.137273 0.124900 -70.425196 -70.425196 -70.425196 0.200227 0.267877 0.200227 0.267877 0.000000 0.000000
+ 0.050000 0.142435 0.129497 -70.891791 -70.891791 -70.891791 0.200274 0.260965 0.200274 0.260965 0.000000 0.000000
+ 0.051000 0.147407 0.133456 -71.320628 -71.320628 -71.320628 0.200141 0.254615 0.200141 0.254615 0.000000 0.000000
+ 0.052000 0.151858 0.137621 -71.677613 -71.677613 -71.677613 0.200258 0.248524 0.200258 0.248524 0.000000 0.000000
+ 0.053000 0.156529 0.141298 -72.040710 -72.040710 -72.040710 0.200117 0.242586 0.200117 0.242586 0.000000 0.000000
+ 0.054000 0.161313 0.144301 -72.406797 -72.406797 -72.406797 0.199681 0.237003 0.199681 0.237003 0.000000 0.000000
+ 0.055000 0.166179 0.146970 -72.770613 -72.770613 -72.770613 0.199092 0.231578 0.199092 0.231578 0.000000 0.000000
+ 0.056000 0.170779 0.149809 -73.093320 -73.093320 -73.093320 0.198655 0.226243 0.198655 0.226243 0.000000 0.000000
+ 0.057000 0.176086 0.152541 -73.461312 -73.461312 -73.461312 0.197944 0.220444 0.197944 0.220444 0.000000 0.000000
+ 0.058000 0.181282 0.154857 -73.815461 -73.815461 -73.815461 0.197111 0.215000 0.197111 0.215000 0.000000 0.000000
+ 0.059000 0.186806 0.157065 -74.183854 -74.183854 -74.183854 0.196130 0.209380 0.196130 0.209380 0.000000 0.000000
+ 0.060000 0.191460 0.159417 -74.465356 -74.465356 -74.465356 0.195489 0.204322 0.195489 0.204322 0.000000 0.000000
+ 0.061000 0.196053 0.162267 -74.710435 -74.710435 -74.710435 0.195059 0.198984 0.195059 0.198984 0.000000 0.000000
+ 0.062000 0.200608 0.165605 -74.917691 -74.917691 -74.917691 0.194827 0.193356 0.194827 0.193356 0.000000 0.000000
+ 0.063000 0.205460 0.168661 -75.139444 -75.139444 -75.139444 0.194390 0.187688 0.194390 0.187688 0.000000 0.000000
+ 0.064000 0.210535 0.171402 -75.372417 -75.372417 -75.372417 0.193758 0.182058 0.193758 0.182058 0.000000 0.000000
+ 0.065000 0.216077 0.174716 -75.591572 -75.591572 -75.591572 0.193191 0.175700 0.193191 0.175700 0.000000 0.000000
+ 0.066000 0.221372 0.177398 -75.803633 -75.803633 -75.803633 0.192465 0.169941 0.192465 0.169941 0.000000 0.000000
+ 0.067000 0.226852 0.179845 -76.020860 -76.020860 -76.020860 0.191589 0.164198 0.191589 0.164198 0.000000 0.000000
+ 0.068000 0.232410 0.182822 -76.195115 -76.195115 -76.195115 0.190889 0.158048 0.190889 0.158048 0.000000 0.000000
+ 0.069000 0.237718 0.184955 -76.382516 -76.382516 -76.382516 0.189949 0.152640 0.189949 0.152640 0.000000 0.000000
+ 0.070000 0.242210 0.187184 -76.502907 -76.502907 -76.502907 0.189315 0.147785 0.189315 0.147785 0.000000 0.000000
+ 0.071000 0.247114 0.189092 -76.651668 -76.651668 -76.651668 0.188424 0.142830 0.188424 0.142830 0.000000 0.000000
+ 0.072000 0.251631 0.191554 -76.730708 -76.730708 -76.730708 0.187871 0.137804 0.187871 0.137804 0.000000 0.000000
+ 0.073000 0.255619 0.193465 -76.805730 -76.805730 -76.805730 0.187282 0.133538 0.187282 0.133538 0.000000 0.000000
+ 0.074000 0.259721 0.195007 -76.900851 -76.900851 -76.900851 0.186516 0.129429 0.186516 0.129429 0.000000 0.000000
+ 0.075000 0.263655 0.196460 -76.984843 -76.984843 -76.984843 0.185771 0.125505 0.185771 0.125505 0.000000 0.000000
+ 0.076000 0.267201 0.197848 -77.047279 -77.047279 -77.047279 0.185130 0.121916 0.185130 0.121916 0.000000 0.000000
+ 0.077000 0.270756 0.199337 -77.095062 -77.095062 -77.095062 0.184524 0.118254 0.184524 0.118254 0.000000 0.000000
+ 0.078000 0.274139 0.200747 -77.133683 -77.133683 -77.133683 0.183944 0.114774 0.183944 0.114774 0.000000 0.000000
+ 0.079000 0.277811 0.201220 -77.249969 -77.249969 -77.249969 0.182913 0.111689 0.182913 0.111689 0.000000 0.000000
+ 0.080000 0.280986 0.201603 -77.348978 -77.348978 -77.348978 0.182011 0.109039 0.182011 0.109039 0.000000 0.000000
+ 0.081000 0.284253 0.202416 -77.413238 -77.413238 -77.413238 0.181242 0.106039 0.181242 0.106039 0.000000 0.000000
+ 0.082000 0.287490 0.202855 -77.502538 -77.502538 -77.502538 0.180342 0.103305 0.180342 0.103305 0.000000 0.000000
+ 0.083000 0.291433 0.203236 -77.619648 -77.619648 -77.619648 0.179185 0.100075 0.179185 0.100075 0.000000 0.000000
+ 0.084000 0.295553 0.203622 -77.737956 -77.737956 -77.737956 0.177973 0.096708 0.177973 0.096708 0.000000 0.000000
+ 0.085000 0.299372 0.204624 -77.784917 -77.784917 -77.784917 0.177095 0.093167 0.177095 0.093167 0.000000 0.000000
+ 0.086000 0.303408 0.205948 -77.802147 -77.802147 -77.802147 0.176267 0.089249 0.176267 0.089249 0.000000 0.000000
+ 0.087000 0.308103 0.207621 -77.797966 -77.797966 -77.797966 0.175355 0.084606 0.175355 0.084606 0.000000 0.000000
+ 0.088000 0.312686 0.209223 -77.784029 -77.784029 -77.784029 0.174452 0.080093 0.174452 0.080093 0.000000 0.000000
+ 0.089000 0.317977 0.211463 -77.713278 -77.713278 -77.713278 0.173560 0.074628 0.173560 0.074628 0.000000 0.000000
+ 0.090000 0.323022 0.213948 -77.592470 -77.592470 -77.592470 0.172841 0.069188 0.172841 0.069188 0.000000 0.000000
+ 0.091000 0.328387 0.216964 -77.404029 -77.404029 -77.404029 0.172219 0.063159 0.172219 0.063159 0.000000 0.000000
+ 0.092000 0.334166 0.220105 -77.186336 -77.186336 -77.186336 0.171508 0.056734 0.171508 0.056734 0.000000 0.000000
+ 0.093000 0.339563 0.223176 -76.943864 -76.943864 -76.943864 0.170896 0.050645 0.170896 0.050645 0.000000 0.000000
+ 0.094000 0.345324 0.226618 -76.640253 -76.640253 -76.640253 0.170306 0.044037 0.170306 0.044037 0.000000 0.000000
+ 0.095000 0.351165 0.230171 -76.296505 -76.296505 -76.296505 0.169732 0.037296 0.169732 0.037296 0.000000 0.000000
+ 0.096000 0.356329 0.233231 -75.977758 -75.977758 -75.977758 0.169192 0.031389 0.169192 0.031389 0.000000 0.000000
+ 0.097000 0.361994 0.235445 -75.737191 -75.737191 -75.737191 0.168167 0.025659 0.168167 0.025659 0.000000 0.000000
+ 0.098000 0.367995 0.237678 -75.472302 -75.472302 -75.472302 0.167036 0.019661 0.167036 0.019661 0.000000 0.000000
+ 0.099000 0.374196 0.240311 -75.133144 -75.133144 -75.133144 0.165993 0.013250 0.165993 0.013250 0.000000 0.000000
+ 0.100000 0.379920 0.243158 -74.743124 -74.743124 -74.743124 0.165188 0.007061 0.165188 0.007061 0.000000 0.000000
diff --git a/regtest/mapping/rt-adapt/mypath.pdb b/regtest/mapping/rt-adapt/mypath.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..1d66439c408639898b7966139d6424798fe39dcb
--- /dev/null
+++ b/regtest/mapping/rt-adapt/mypath.pdb
@@ -0,0 +1,40 @@
+REMARK ARG=d1.x,d1.y d1.x=1.12000000000000000000 d1.y=-.60000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.99000000000000000000 d1.y=-.45000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.86000000000000000000 d1.y=-.30000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.73000000000000000000 d1.y=-.15000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.60000000000000000000 d1.y=0
+END
+REMARK ARG=d1.x,d1.y d1.x=.47000000000000000000 d1.y=.15000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.34000000000000000000 d1.y=.30000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.21000000000000000000 d1.y=.45000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=.08000000000000000000 d1.y=.60000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.05000000000000000000 d1.y=.75000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.18000000000000000000 d1.y=.90000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.31000000000000000000 d1.y=1.05000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.44000000000000000000 d1.y=1.20000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.57000000000000000000 d1.y=1.35000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.70000000000000000000 d1.y=1.50000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.83000000000000000000 d1.y=1.65000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-.96000000000000000000 d1.y=1.80000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-1.09000000000000000000 d1.y=1.95000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-1.22000000000000000000 d1.y=2.10000000000000000000
+END
+REMARK ARG=d1.x,d1.y d1.x=-1.35000000000000000000 d1.y=2.25000000000000000000
+END
diff --git a/regtest/mapping/rt-adapt/out-path.pdb.reference b/regtest/mapping/rt-adapt/out-path.pdb.reference
new file mode 100644
index 0000000000000000000000000000000000000000..9aa192f3033ca12fbd0b492c25820806a78a18d5
--- /dev/null
+++ b/regtest/mapping/rt-adapt/out-path.pdb.reference
@@ -0,0 +1,162 @@
+# PATH AT STEP 50 TIME 50.000000
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=1.2247 d1.y=-0.7208
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=1.0685 d1.y=-0.5406
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.9123 d1.y=-0.3604
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.7562 d1.y=-0.1802
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.6000 d1.y=0.0000
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.3691 d1.y=-0.0597
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.1307 d1.y=-0.0637
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.0379 d1.y=0.1048
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.0364 d1.y=0.3433
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.0385 d1.y=0.5697
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.0753 d1.y=0.7792
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.2315 d1.y=0.9594
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.3877 d1.y=1.1396
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.5438 d1.y=1.3198
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.7000 d1.y=1.5000
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.8562 d1.y=1.6802
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.0123 d1.y=1.8604
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.1685 d1.y=2.0406
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.3247 d1.y=2.2208
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.4808 d1.y=2.4010
+END
+# PATH AT STEP 100 TIME 100.000000
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=1.1683 d1.y=-0.6557
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=1.0262 d1.y=-0.4918
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.8841 d1.y=-0.3279
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.7421 d1.y=-0.1639
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.6000 d1.y=0.0000
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.4307 d1.y=0.1356
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.2174 d1.y=0.0958
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.0447 d1.y=0.2270
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=0.0027 d1.y=0.4398
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.0245 d1.y=0.6550
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.1342 d1.y=0.8422
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.2738 d1.y=1.0082
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.4159 d1.y=1.1721
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.5579 d1.y=1.3361
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.7000 d1.y=1.5000
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.8421 d1.y=1.6639
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-0.9841 d1.y=1.8279
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.1262 d1.y=1.9918
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.2683 d1.y=2.1557
+END
+REMARK TYPE=EUCLIDEAN
+REMARK ARG=d1.x,d1.y
+REMARK d1.x=-1.4104 d1.y=2.3196
+END
diff --git a/regtest/mapping/rt-adapt/plumed.dat b/regtest/mapping/rt-adapt/plumed.dat
new file mode 100644
index 0000000000000000000000000000000000000000..8d9f2be39fb48a7f051073b8b2f0da594f2b11b2
--- /dev/null
+++ b/regtest/mapping/rt-adapt/plumed.dat
@@ -0,0 +1,18 @@
+#UNITS NATURAL
+#
+#d1: DISTANCE ATOMS=1,2 COMPONENTS
+#ff: MATHEVAL ARG=d1.x,d1.y PERIODIC=NO FUNC=(-200*exp(-(x-1)^2-10*(y)^2)-100*exp(-(x-0)^2-10*(y-0.5)^2)-170*exp(-6.5*(x+0.5)^2+11*(x+0.5)*(y-1.5)-6.5*(y-1.5)^2)+15*exp(0.7*(x+1.0)^2+0.6*(x+1.0)*(y-1.0)+0.7*(y-1.0)^2))
+#
+#bb: BIASVALUE ARG=ff
+#
+#pb: PATHCV ARG=d1.x,d1.y INFILE=initial-path.xy FIXED=5,15 PACE=500
+
+d1: READ VALUES=d1.x,d1.y FILE=incolvar IGNORE_TIME
+
+pp: ADAPTIVE_PATH TYPE=EUCLIDEAN FIXED=5,15 UPDATE=50 WFILE=out-path.pdb WSTRIDE=50 FMT=%8.4f REFERENCE=mypath.pdb
+
+PRINT ARG=d1.x,d1.y,pp.* FMT=%8.4f FILE=colvar
+
+# mm: METAD ARG=pp.gspath PACE=100 SIGMA=0.1 HEIGHT=5
+
+# PRINT ARG=d1.x,d1.y,ff,bb.*,pb.*,pp.*,mm.* FILE=colvar
diff --git a/src/mapping/AdaptivePath.cpp b/src/mapping/AdaptivePath.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6c02d788005ea62f8a056cab9a79a5ae7ef00c57
--- /dev/null
+++ b/src/mapping/AdaptivePath.cpp
@@ -0,0 +1,193 @@
+/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ Copyright (c) 2012-2016 The plumed team
+ (see the PEOPLE file at the root of the distribution for a list of names)
+
+ See http://www.plumed.org for more information.
+
+ This file is part of plumed, version 2.
+
+ plumed is free software: you can redistribute it and/or modify
+ it under the terms of the GNU Lesser General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ plumed is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU Lesser General Public License for more details.
+
+ You should have received a copy of the GNU Lesser General Public License
+ along with plumed. If not, see <http://www.gnu.org/licenses/>.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
+#include "Mapping.h"
+#include "TrigonometricPathVessel.h"
+#include "reference/PathReparameterization.h"
+#include "reference/Direction.h"
+#include "core/ActionRegister.h"
+
+//+PLUMEDOC COLVAR ADAPTIVE_PATH
+/*
+Adaptive path cvs.
+
+\par Examples
+
+*/
+//+ENDPLUMEDOC
+
+namespace PLMD {
+namespace mapping{
+
+class AdaptivePath : public Mapping {
+private:
+ OFile pathfile;
+ std::string ofmt;
+ double fadefact, tolerance;
+ unsigned update_str, wstride;
+ std::vector<unsigned> fixedn;
+ TrigonometricPathVessel* mypathv;
+ std::vector<double> wsum;
+ Direction displacement,displacement2;
+ std::vector<Direction> pdisplacements;
+public:
+ static void registerKeywords( Keywords& keys );
+ explicit AdaptivePath(const ActionOptions&);
+ void calculate();
+ void performTask( const unsigned& , const unsigned& , MultiValue& ) const ;
+ double getLambda() { return 0.0; }
+ double transformHD( const double& dist, double& df ) const ;
+ void update();
+};
+
+PLUMED_REGISTER_ACTION(AdaptivePath,"ADAPTIVE_PATH")
+
+void AdaptivePath::registerKeywords( Keywords& keys ){
+ Mapping::registerKeywords( keys ); keys.remove("PROPERTY");
+ keys.add("compulsory","FIXED","the positions in the list of input frames of the two path nodes whose positions remain fixed during the path optimization");
+ keys.add("compulsory","HALFLIFE","-1","the number of MD steps after which a previously measured path distance weighs only 50% in the average. This option may increase convergence by allowing to \"forget\" the memory of a bad initial guess path. The default is to set this to infinity");
+ keys.add("compulsory","UPDATE","the frequency with which the path should be updated");
+ keys.add("compulsory","TOLERANCE","1E-6","the tolerance to use for the path updating algorithm that makes all frames equidistant");
+ keys.add("optional","WFILE","file on which to write out the path");
+ keys.add("compulsory","FMT","%f","the format to use for output files");
+ keys.add("optional","WSTRIDE","frequency with which to write out the path");
+}
+
+AdaptivePath::AdaptivePath(const ActionOptions& ao):
+Action(ao),
+Mapping(ao),
+fixedn(2),
+displacement(ReferenceConfigurationOptions("DIRECTION")),
+displacement2(ReferenceConfigurationOptions("DIRECTION"))
+{
+ setLowMemOption( true ); parseVector("FIXED",fixedn);
+ if( fixedn[0]<1 || fixedn[1]>getNumberOfReferencePoints() ) error("fixed nodes must be in range from 0 to number of nodes");
+ if( fixedn[0]>=fixedn[1] ) error("invalid selection for fixed nodes first index provided must be smaller than second index");
+ log.printf(" fixing position of frames numbered %u and %u \n",fixedn[0],fixedn[1]);
+ fixedn[0]--; fixedn[1]--; // Set fixed notes with c++ indexing starting from zero
+ parse("UPDATE",update_str); if( update_str<1 ) error("update frequency for path should be greater than or equal to one");
+ log.printf(" updating path every %u MD steps \n",update_str);
+
+ double halflife; parse("HALFLIFE",halflife);
+ log.printf(" weight of contribution to frame halves every %f steps \n",halflife);
+ if( halflife<0 ) fadefact=1.0;
+ else fadefact = exp( -0.693147180559945 / static_cast<double>(halflife) );
+
+ // Create the list of tasks (and reset projections of frames)
+ std::vector<std::string> argument_names( getNumberOfArguments() );
+ for(unsigned i=0;i<getNumberOfArguments();++i) argument_names[i] = getPntrToArgument(i)->getName();
+ displacement.setNamesAndAtomNumbers( getAbsoluteIndexes(), argument_names );
+ displacement2.setNamesAndAtomNumbers( getAbsoluteIndexes(), argument_names );
+ for(int i=0;i<getNumberOfReferencePoints();++i){
+ addTaskToList( i ); pdisplacements.push_back( Direction(ReferenceConfigurationOptions("DIRECTION")) );
+ setPropertyValue( i, 0, static_cast<double>( i - static_cast<int>(fixedn[0]) ) / static_cast<double>( fixedn[1] - fixedn[0] ) );
+ pdisplacements[i].setNamesAndAtomNumbers( getAbsoluteIndexes(), argument_names ); wsum.push_back( 0.0 );
+ }
+ plumed_assert( getPropertyValue( fixedn[0], 0 )==0.0 && getPropertyValue( fixedn[1], 0 )==1.0 );
+ // And activate them all
+ deactivateAllTasks();
+ for(unsigned i=0;i<getFullNumberOfTasks();++i) taskFlags[i]=1;
+ lockContributors();
+
+ // Setup the vessel to hold the trig path
+ std::string input; addVessel("GPATH", input, -1 );
+ readVesselKeywords();
+ // Check that there is only one vessel - the one holding the trig path
+ plumed_dbg_assert( getNumberOfVessels()==1 );
+ // Retrieve the path vessel
+ mypathv = dynamic_cast<TrigonometricPathVessel*>( getPntrToVessel(0) );
+ plumed_assert( mypathv );
+
+ // Information for write out
+ std::string wfilename; parse("WFILE",wfilename);
+ if( wfilename.length()>0 ){
+ wstride=0; parse("WSTRIDE",wstride); parse("FMT",ofmt);
+ pathfile.link(*this); pathfile.open( wfilename ); pathfile.setHeavyFlush();
+ if( wstride<update_str ) error("makes no sense to write out path more frequently than update stride");
+ log.printf(" writing path out every %u steps to file named %s with format %s \n",wstride,wfilename.c_str(),ofmt.c_str());
+ }
+}
+
+void AdaptivePath::calculate(){
+ runAllTasks();
+}
+
+void AdaptivePath::performTask( const unsigned& task_index, const unsigned& current, MultiValue& myvals ) const {
+ // This builds a pack to hold the derivatives
+ ReferenceValuePack mypack( getNumberOfArguments(), getNumberOfAtoms(), myvals );
+ finishPackSetup( current, mypack );
+ // Calculate the distance from the frame
+ double val=calculateDistanceFunction( current, mypack, true );
+ // Put the element value in element zero
+ myvals.setValue( 0, val ); myvals.setValue( 1, 1.0 );
+ return;
+}
+
+double AdaptivePath::transformHD( const double& dist, double& df ) const {
+ df=1.0; return dist;
+}
+
+void AdaptivePath::update(){
+ double weight2 = -1.*mypathv->dx;
+ double weight1 = 1.0 + mypathv->dx;
+ if( weight1>1.0 ){
+ weight1=1.0; weight2=0.0;
+ } else if( weight2>1.0 ){
+ weight1=0.0; weight2=1.0;
+ }
+ // Add projections to dispalcement accumulators
+ ReferenceConfiguration* myref = getReferenceConfiguration( mypathv->iclose1 );
+ myref->extractDisplacementVector( getPositions(), getArguments(), mypathv->cargs, false, false, displacement );
+ getReferenceConfiguration( mypathv->iclose2 )->extractDisplacementVector( myref->getReferencePositions(), getArguments(), myref->getReferenceArguments(), false, false, displacement2 );
+ displacement.addDirection( -mypathv->dx, displacement2 );
+ pdisplacements[mypathv->iclose1].addDirection( weight1, displacement );
+ pdisplacements[mypathv->iclose2].addDirection( weight2, displacement );
+ // Update weight accumulators
+ wsum[mypathv->iclose1] *= fadefact;
+ wsum[mypathv->iclose2] *= fadefact;
+ wsum[mypathv->iclose1] += weight1;
+ wsum[mypathv->iclose2] += weight2;
+
+ // This does the update of the path if it is time to
+ if( (getStep()>0) && (getStep()%update_str==0) ){
+ wsum[fixedn[0]]=wsum[fixedn[1]]=0.;
+ for(unsigned inode=0;inode<getNumberOfReferencePoints();++inode){
+ if( wsum[inode]>0 ){
+ // First displace the node by the weighted direction
+ getReferenceConfiguration( inode )->displaceReferenceConfiguration( 1./wsum[inode], pdisplacements[inode] );
+ // Reset the displacement
+ pdisplacements[inode].zeroDirection();
+ }
+ }
+ // Now ensure all the nodes of the path are equally spaced
+ PathReparameterization myspacings( getPbc(), getArguments(), getAllReferenceConfigurations() );
+ myspacings.reparameterize( fixedn[0], fixedn[1], tolerance );
+ }
+ if( (getStep()>0) && (getStep()%wstride==0) ){
+ pathfile.printf("# PATH AT STEP %d TIME %f \n", getStep(), getTime() );
+ std::vector<ReferenceConfiguration*>& myconfs=getAllReferenceConfigurations();
+ for(unsigned i=0;i<myconfs.size();++i) myconfs[i]->print( pathfile, ofmt, atoms.getUnits().getLength()/0.1 );
+ pathfile.flush();
+ }
+}
+
+}
+}