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Commit 17357135 authored by Giovanni Bussi's avatar Giovanni Bussi
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Fixed regtests 

Decreased numerical precision to avoid false positives
parent 70b3b889
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regtest/basic/rt19-mpi/HH.0.reference
+ 4
− 4
View file @ 17357135
...@@ -6,7 +6,7 @@ ...@@ -6,7 +6,7 @@
0.2 1.495752022063682 1 0.1 1 0.2 1.495752022063682 1 0.1 1
#! FIELDS time rmsd0 sigma_rmsd0 height biasf #! FIELDS time rmsd0 sigma_rmsd0 height biasf
#! SET multivariate false #! SET multivariate false
0.05 1.502409238626139 1 0.1 1 0.050000 1.502409 1.000000 0.100000 1.000000
0.1 1.503459263811322 1 0.1 1 0.100000 1.503459 1.000000 0.100000 1.000000
0.15 1.501751446043877 1 0.1 1 0.150000 1.501751 1.000000 0.100000 1.000000
0.2 1.495752022063682 1 0.1 1 0.200000 1.495752 1.000000 0.100000 1.000000
regtest/basic/rt19-mpi/HH.1.reference
+ 4
− 4
View file @ 17357135
...@@ -6,7 +6,7 @@ ...@@ -6,7 +6,7 @@
0.2 1.495752022063682 1 0.1 1 0.2 1.495752022063682 1 0.1 1
#! FIELDS time rmsd0 sigma_rmsd0 height biasf #! FIELDS time rmsd0 sigma_rmsd0 height biasf
#! SET multivariate false #! SET multivariate false
0.05 1.502409238626139 1 0.1 1 0.050000 1.502409 1.000000 0.100000 1.000000
0.1 1.503459263811322 1 0.1 1 0.100000 1.503459 1.000000 0.100000 1.000000
0.15 1.501751446043877 1 0.1 1 0.150000 1.501751 1.000000 0.100000 1.000000
0.2 1.495752022063682 1 0.1 1 0.200000 1.495752 1.000000 0.100000 1.000000
regtest/basic/rt19-mpi/plumed.dat
+ 1
− 1
View file @ 17357135
...@@ -21,7 +21,7 @@ PRINT ARG=* FILE=COLVAR.res.gz FMT=%6.3f ...@@ -21,7 +21,7 @@ PRINT ARG=* FILE=COLVAR.res.gz FMT=%6.3f
r1: READ VALUES=rmsd0 FILE=input_colvar.gz r1: READ VALUES=rmsd0 FILE=input_colvar.gz
PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f
METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 FMT=%10.6f
ENDPLUMED ENDPLUMED
......
regtest/basic/rt19/HH.reference
+ 4
− 4
View file @ 17357135
...@@ -6,7 +6,7 @@ ...@@ -6,7 +6,7 @@
0.2 1.495752022063682 1 0.1 1 0.2 1.495752022063682 1 0.1 1
#! FIELDS time rmsd0 sigma_rmsd0 height biasf #! FIELDS time rmsd0 sigma_rmsd0 height biasf
#! SET multivariate false #! SET multivariate false
0.05 1.502409238626139 1 0.1 1 0.050000 1.502409 1.000000 0.100000 1.000000
0.1 1.503459263811322 1 0.1 1 0.100000 1.503459 1.000000 0.100000 1.000000
0.15 1.501751446043877 1 0.1 1 0.150000 1.501751 1.000000 0.100000 1.000000
0.2 1.495752022063682 1 0.1 1 0.200000 1.495752 1.000000 0.100000 1.000000
regtest/basic/rt19/plumed.dat
+ 1
− 1
View file @ 17357135
...@@ -21,7 +21,7 @@ PRINT ARG=* FILE=COLVAR.res.gz FMT=%6.3f ...@@ -21,7 +21,7 @@ PRINT ARG=* FILE=COLVAR.res.gz FMT=%6.3f
r1: READ VALUES=rmsd0 FILE=input_colvar.gz r1: READ VALUES=rmsd0 FILE=input_colvar.gz
PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f
METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 FMT=%10.6f
ENDPLUMED ENDPLUMED
......
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