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plumed
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plumed2
Development version of plumed 2
https://www.plumed.org
GNU Lesser General Public License v3.0
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Depracated action tracking
#1160
gtribello
opened
10 hours ago
0
Parallelization for AdjMatrices
#1159
Iximiel
opened
12 hours ago
0
Macro for fasterMulticolvar+named modes
#1158
Iximiel
opened
1 week ago
2
[WIP]Changing style a guide to branch conflicts
#1157
Iximiel
opened
1 week ago
0
A solution for an issue with dlopen
#1156
Iximiel
opened
1 week ago
0
PYTORCH_MODEL with CUDA 11.2
#1154
alexberlaga
opened
2 weeks ago
2
Wrong gromacs compatibility in the v2.9.2 manual
#1153
MaximeSongIdris
opened
2 weeks ago
0
Some fixes for cudaCoord (group-to-group)
#1152
Iximiel
opened
2 weeks ago
0
Regarding gnn-cv and gpu support
#1151
chlwjd1234
opened
3 weeks ago
0
rt-coverage-antibetarmsd fails on v2.10 while pass on v2.9
#1150
carlocamilloni
opened
3 weeks ago
0
Is PLUMED driver parallelized?
#1149
lizhuzh
opened
4 weeks ago
0
Fix for output of ADAPTIVE_PATH
#1148
gtribello
closed
3 weeks ago
2
Fix for output of ADAPTIVE_PATH
#1147
gtribello
closed
4 weeks ago
6
More modern way of setting the biggest size_t in PBC
#1146
Iximiel
closed
1 month ago
0
Added new method for links to switching function documentation
#1145
gtribello
opened
1 month ago
1
Improve coverage isdb
#1144
Mertcan-Puncist
closed
3 weeks ago
2
Issue with PBMETAD + SELECTOR
#1143
GiovanniBussi
closed
1 month ago
2
Regtest failing with segfault in v2.9
#1142
carlocamilloni
opened
1 month ago
1
Fixed some issues with regtests on secondary structure variables
#1141
gtribello
closed
1 month ago
4
Improve coverage for bias module
#1140
Mertcan-Puncist
closed
1 month ago
2
Removed a typo from regtest/scripts/run
#1139
Iximiel
closed
1 month ago
0
Derivatives of RMSD
#1138
lizhuzh
closed
1 month ago
3
Issue with new implementation of ParaBetaRMSD
#1137
GiovanniBussi
closed
1 month ago
1
improved coverage test result of secondarystructure/ParabetaRMSD.cpp
#1136
Mertcan-Puncist
closed
1 month ago
0
sum_hills error
#1135
KrishnenduSinha12
closed
1 month ago
1
Changing pycv into a proper python package
#1134
Iximiel
opened
1 month ago
1
Problems with launching a LOADed pycv from the python interface
#1133
Iximiel
opened
1 month ago
1
DRR: correctly separate the calculate and update
#1132
HanatoK
closed
1 month ago
0
Backport #1122 to v2.10
#1131
Luthaf
closed
1 month ago
1
Testing the signedness of walls with even and odd expontents
#1130
Iximiel
closed
1 month ago
0
Do not hold Python's GIL when running commands
#1129
Luthaf
closed
1 month ago
8
Consider releasing the GIL in the Python interface
#1128
Luthaf
closed
1 month ago
5
Now git ignores coverage output
#1127
Mertcan-Puncist
closed
1 month ago
0
Use process group signal handling to reach past the shell
#1126
twhitehead
opened
1 month ago
5
Improve coverage secondarystructure/AntibetaRMSD
#1125
Mertcan-Puncist
closed
1 month ago
6
internal compiler error since 24.4 (24.4, 24.7, 24.9)
#1124
mfvalin
closed
1 month ago
1
Fix building shared libraries on macOS with `--enable-libtorch`
#1123
Luthaf
closed
1 month ago
6
Handler class does not have a `watch` field
#1122
Luthaf
closed
1 month ago
2
CONTACTMAP saturates all the available cores
#1121
riccardocapelli
opened
1 month ago
1
internal compiler error since 24.4 (24.4, 24.7, 24.9)
#1120
mfvalin
closed
1 month ago
5
Merge V2.9 into v2.10
#1119
Iximiel
closed
1 month ago
0
Proposing: removing lines with more than one statements. (v2.10)
#1118
Iximiel
opened
1 month ago
0
Update (src|regtest)/.gitignore - missing sizeshape
#1117
Iximiel
closed
1 month ago
0
Reuse result from getenv
#1116
mabraham
closed
1 month ago
2
Add DOI information to the json syntax file
#1115
gtribello
opened
2 months ago
1
Proposing: removing lines with more than one statements.
#1114
Iximiel
opened
2 months ago
5
Little improvement in the regtest manual
#1113
Iximiel
closed
1 month ago
0
Proposing: compacting lower and upper walls into a single file
#1112
Iximiel
opened
2 months ago
0
FIX-2.9 Now the forces from LWALLS should be correct
#1111
Iximiel
closed
1 month ago
3
REST2 in gromacs2024.2 not working
#1110
JuroDobias
opened
2 months ago
2
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