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Commit 04e4750f authored by Giovanni Bussi's avatar Giovanni Bussi
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maxent regtests: decreased number of digits

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regtest/basic/rt-maxent-1/colvar.reference
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#! FIELDS time j1 j2 j3 j4 j5 j6 j7 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
regtest/basic/rt-maxent-1/config
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type=driver type=driver
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f" arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.3f"
regtest/basic/rt-maxent-1/forces.reference
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regtest/basic/rt-maxent-1/plumed.dat
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...@@ -51,4 +51,5 @@ TEMP=300 ...@@ -51,4 +51,5 @@ TEMP=300
PRINT ... PRINT ...
ARG=j1,j2,j3,j4,j5,j6,j7 ARG=j1,j2,j3,j4,j5,j6,j7
STRIDE=10 FILE=colvar STRIDE=10 FILE=colvar
FMT=%8.4f
... PRINT ... PRINT
regtest/basic/rt-maxent-2/colvar.reference
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...@@ -11,14 +11,14 @@ ...@@ -11,14 +11,14 @@
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 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 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 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
regtest/basic/rt-maxent-2/config
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type=driver type=driver
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f" arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.3f"
regtest/basic/rt-maxent-2/forces.reference
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regtest/basic/rt-maxent-2/plumed.dat
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...@@ -52,4 +52,5 @@ TEMP=300 ...@@ -52,4 +52,5 @@ TEMP=300
PRINT ... PRINT ...
ARG=j1,j2,j3,j4,j5,j6,j7 ARG=j1,j2,j3,j4,j5,j6,j7
STRIDE=10 FILE=colvar STRIDE=10 FILE=colvar
FMT=%8.4f
... PRINT ... PRINT
regtest/basic/rt-maxent-4/colvar.reference
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#! FIELDS time j1 j2 j3 j4 j5 j6 j7 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
regtest/basic/rt-maxent-4/config
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mpiprocs=6 mpiprocs=6
type=driver type=driver
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f --debug-dd yes" arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.3f --debug-dd yes"
regtest/basic/rt-maxent-4/forces.0.reference
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regtest/basic/rt-maxent-4/forces.1.reference
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regtest/basic/rt-maxent-4/forces.2.reference
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regtest/basic/rt-maxent-4/forces.3.reference
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regtest/basic/rt-maxent-4/forces.4.reference
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regtest/basic/rt-maxent-4/forces.5.reference
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regtest/basic/rt-maxent-4/plumed.dat
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...@@ -51,4 +51,5 @@ FMT=%f ...@@ -51,4 +51,5 @@ FMT=%f
PRINT ... PRINT ...
ARG=j1,j2,j3,j4,j5,j6,j7 ARG=j1,j2,j3,j4,j5,j6,j7
STRIDE=10 FILE=colvar STRIDE=10 FILE=colvar
FMT=%8.4f
... PRINT ... PRINT
regtest/basic/rt-maxent-5/colvar.0.reference
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#! FIELDS time j1 j2 j3 j4 j5 j6 j7 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
regtest/basic/rt-maxent-5/colvar.1.reference
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#! FIELDS time j1 j2 j3 j4 j5 j6 j7 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
regtest/basic/rt-maxent-5/colvar.2.reference
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#! FIELDS time j1 j2 j3 j4 j5 j6 j7 #! FIELDS time j1 j2 j3 j4 j5 j6 j7
0.000000 10.593483 3.991452 1.118545 4.535487 0.475877 3.268256 2.494038 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940
10.000000 0.434136 5.242676 8.251033 2.614029 2.163582 1.404990 3.060875 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609
20.000000 8.773931 5.879753 0.553086 2.525985 0.801487 5.792088 3.228069 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281
30.000000 11.029838 4.528773 0.806521 1.946002 2.278457 5.655640 3.855359 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554
40.000000 11.409602 5.596347 1.285364 6.497764 0.862320 5.707814 3.940420 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404
50.000000 10.884786 7.565206 7.428449 1.896450 2.445897 0.199139 0.485447 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854
60.000000 9.955792 6.507668 3.312648 2.071214 1.027960 5.799985 3.992038 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920
70.000000 10.813602 6.746135 1.546803 2.864772 0.867356 5.453021 3.726299 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263
80.000000 9.101818 4.966712 2.885810 1.886507 1.283637 5.363055 3.999512 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995
90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656
100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787
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