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Commit 521e06b7 authored by Giovanni Bussi's avatar Giovanni Bussi
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Fixed regtest failing for numerical errors on new clang compilers

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regtest/basic/rt-maxent-1/colvar.reference
+ 11
− 11
View file @ 521e06b7
#! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
0.000000 10.593 3.991 1.119 4.535 0.476 3.268 2.494
10.000000 0.434 5.243 8.251 2.614 2.164 1.405 3.061
20.000000 8.774 5.880 0.553 2.526 0.801 5.792 3.228
30.000000 11.030 4.529 0.807 1.946 2.278 5.656 3.855
40.000000 11.410 5.596 1.285 6.498 0.862 5.708 3.940
50.000000 10.885 7.565 7.428 1.896 2.446 0.199 0.485
60.000000 9.956 6.508 3.313 2.071 1.028 5.800 3.992
70.000000 10.814 6.746 1.547 2.865 0.867 5.453 3.726
80.000000 9.102 4.967 2.886 1.887 1.284 5.363 4.000
90.000000 3.488 7.467 8.803 2.460 1.177 5.220 3.966
100.000000 3.532 4.893 11.478 2.051 2.229 5.371 3.879
regtest/basic/rt-maxent-1/plumed.dat
+ 1
− 1
View file @ 521e06b7
......@@ -51,5 +51,5 @@ TEMP=300
PRINT ...
ARG=j1,j2,j3,j4,j5,j6,j7
STRIDE=10 FILE=colvar
FMT=%8.4f
FMT=%8.3f
... PRINT
regtest/basic/rt-maxent-2/colvar.reference
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− 11
View file @ 521e06b7
......@@ -11,14 +11,14 @@
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713
#! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
0.000000 10.593 3.991 1.119 4.535 0.476 3.268 2.494
10.000000 0.434 5.243 8.251 2.614 2.164 1.405 3.061
20.000000 8.774 5.880 0.553 2.526 0.801 5.792 3.228
30.000000 11.030 4.529 0.807 1.946 2.278 5.656 3.855
40.000000 11.410 5.596 1.285 6.498 0.862 5.708 3.940
50.000000 10.885 7.565 7.428 1.896 2.446 0.199 0.485
60.000000 9.956 6.508 3.313 2.071 1.028 5.800 3.992
70.000000 10.814 6.746 1.547 2.865 0.867 5.453 3.726
80.000000 9.102 4.967 2.886 1.887 1.284 5.363 4.000
90.000000 3.488 7.467 8.803 2.460 1.177 5.220 3.966
100.000000 3.532 4.893 11.478 2.051 2.229 5.371 3.879
regtest/basic/rt-maxent-2/plumed.dat
+ 1
− 1
View file @ 521e06b7
......@@ -52,5 +52,5 @@ TEMP=300
PRINT ...
ARG=j1,j2,j3,j4,j5,j6,j7
STRIDE=10 FILE=colvar
FMT=%8.4f
FMT=%8.3f
... PRINT
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