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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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Typed vector and tensor
#1092
Iximiel
opened
5 hours ago
0
Weird behavior of LOWER_WALLS
#1091
riccardocapelli
opened
3 days ago
0
Removed old-style-cast from Plumed.h
#1090
Iximiel
opened
4 days ago
7
PDB functions not accepting negative residue numbers
#1089
carlocamilloni
opened
5 days ago
1
dynamically resolve environment variables
#1088
zhongxiang117
closed
2 weeks ago
6
Action for reading masses and charges from a PDB file
#1087
gtribello
opened
2 weeks ago
3
Error when patching plumed (v2.9.1) to Gromacs 23.5
#1086
zhongxiang117
closed
2 weeks ago
6
bug: ENERGY cv not working with gromacs
#1085
invemichele
closed
2 weeks ago
1
Merged for the qe patches from 2.8 into 2.9
#1084
Iximiel
closed
1 month ago
0
Updating QE patches for v2.8
#1083
Iximiel
closed
1 month ago
2
Interface to metatensor to use arbitrary machine learning models as collective variables
#1082
Luthaf
closed
4 days ago
6
Fixes to documentation generators for PlumedToHTML
#1081
gtribello
closed
1 month ago
1
More helpful exception text for Registerbase
#1080
Iximiel
opened
1 month ago
3
Trouble compiling Plumed Patched Gromacs 2023
#1079
Arikite-netizen
opened
1 month ago
0
Erroneous link in manual
#1078
aeszter
opened
1 month ago
0
Unable to compile Libtorch with Plumed
#1077
Esenmira
opened
1 month ago
0
Compiling with NVHPC
#1076
Iximiel
opened
1 month ago
0
Writing the coordination with openACC
#1075
Iximiel
opened
1 month ago
3
Load library version
#1074
GiovanniBussi
closed
1 month ago
1
Compacting the data structure within PLMD::Tree
#1073
Iximiel
opened
1 month ago
1
Implement shape detection in internal WithCmd tool
#1072
GiovanniBussi
opened
1 month ago
0
Implement shape detection in internal
#1071
GiovanniBussi
closed
1 month ago
0
Fix for plumed2html
#1070
gtribello
closed
1 month ago
2
Contributing new size-and-shape module
#1069
hockyg
closed
1 month ago
5
Enable EMST in all colvars using makeWhole()
#1068
GiovanniBussi
opened
1 month ago
3
Add implicit PBC reconstruction to GHOST variable
#1067
GiovanniBussi
closed
1 month ago
0
GHOST and PBCs
#1066
GiovanniBussi
closed
1 month ago
0
Temporarily commented out codecov
#1065
GiovanniBussi
opened
2 months ago
0
Removed Doxygen characters from first line of documentation
#1064
gtribello
closed
1 month ago
0
Added a simple module map
#1063
Iximiel
closed
1 month ago
2
Unable to compile and Install
#1062
shuvadipkhanra
closed
2 months ago
9
Corrected a typo in fussy warning:-Wredundant-delcs -> -Wredundant-decls
#1061
Iximiel
closed
2 months ago
2
Issue with coverage build
#1060
GiovanniBussi
closed
2 months ago
1
Benchmark distributions
#1059
Iximiel
closed
2 months ago
1
Tidying up of modules.
#1058
gtribello
closed
1 month ago
6
epsilon variable in OPES_METAD
#1057
aniruddha-seal
closed
2 months ago
5
Improved load action
#1056
GiovanniBussi
closed
2 months ago
12
New version of dimensionality reduction from hack-the-tree
#1054
gtribello
closed
2 months ago
4
Optimized EMST setup
#1053
GiovanniBussi
closed
2 months ago
1
Implemented NDX selector
#1052
GiovanniBussi
closed
2 months ago
1
deactivate restart during parse only runs
#1051
gtribello
closed
3 months ago
2
C++ wrapper array shapes
#1050
GiovanniBussi
closed
1 month ago
5
Writing the coordination with ArrayFire
#1049
Iximiel
opened
3 months ago
0
Patched the rational non simplified switching function around X==R_0
#1048
Iximiel
closed
3 months ago
3
Split list of forced actions from list of non-forced actions in domain decomposition
#1047
gtribello
closed
3 months ago
3
Format of the manual
#1046
GiovanniBussi
closed
2 months ago
4
Optimize wholemolecules
#1045
GiovanniBussi
opened
3 months ago
3
Optimize grouping indexes
#1044
GiovanniBussi
closed
3 months ago
2
Replaced some bottleneck loop with blas
#1043
GiovanniBussi
closed
3 months ago
2
Extensive improvements in benchmark tool
#1042
GiovanniBussi
closed
3 months ago
2
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