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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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Optimize getWords()
#1011
GiovanniBussi
closed
7 months ago
1
Could I dump the indices of atoms of a CV with PLUMED directly?
#1010
erwusht
closed
8 months ago
1
problems with the link to mpi libraries (plumed version 2.9.0)
#1009
gekbuccella
opened
8 months ago
2
A confusion in the PLUMED histogram documentation
#1008
erwusht
opened
8 months ago
0
Removing the should from Exception.h
#1007
Iximiel
closed
9 months ago
1
Link plumed tutes
#1006
gtribello
closed
8 months ago
3
Issues with multiple degenerate groups using PBMetaD with PF
#1005
ruz088
opened
9 months ago
6
Revert "Revert "Fix resolution function numerical issue (#1002)""
#1004
carlocamilloni
closed
9 months ago
0
Revert "Fix resolution function numerical issue (#1002)"
#1003
carlocamilloni
closed
9 months ago
0
Fix resolution function numerical issue
#1002
hmcezar
closed
9 months ago
5
PyCV -- calling python within plumed
#1001
Iximiel
closed
7 months ago
22
Adding a RAII class to promote an object containt a symbol to be dlopened with RTLD_GLOBAL
#1000
Iximiel
closed
10 months ago
1
our XYZ parser read a box even if a box is not there
#999
carlocamilloni
opened
10 months ago
7
Drr fmt and regtest precision
#998
carlocamilloni
closed
10 months ago
1
ves regtests: reduce by one more (#995)
#997
carlocamilloni
closed
10 months ago
0
PyCV - calling python within plumed
#996
Iximiel
closed
9 months ago
2
ves regtests failing in GH Actions for Intel: reduce by one more digit
#995
valsson
closed
10 months ago
0
reduce precision of VES regtest failing on Intel clang
#994
valsson
closed
10 months ago
1
OPES: second attempt at fixing NaN problem for intel compiler
#993
invemichele
closed
10 months ago
0
OPES: Making parsing not reliant on NaN
#992
invemichele
closed
10 months ago
1
Test PR for pycv
#991
Iximiel
closed
10 months ago
1
Test new latest intel compiler on GitHub Action
#990
carlocamilloni
closed
10 months ago
18
Removed py37 and py38 from macports CI
#989
Iximiel
closed
10 months ago
5
mklib deletes tmp files also in case of failure
#988
Iximiel
closed
10 months ago
0
Issue with installing INDUS patched into PLUMED
#987
sbkashif
opened
10 months ago
6
Modules with conda-forge plumed
#986
gitkol
opened
10 months ago
3
Adding GLOBAL keyword to LOAD action
#985
Iximiel
closed
10 months ago
1
Patch for Quantum Espresso 7.2
#984
Iximiel
closed
10 months ago
0
Plumed can't find libtorch
#983
zimb3l-priv
closed
10 months ago
3
`asmjit` supported architectures
#982
casparvl
closed
11 months ago
4
Error when patching plumed (v2.9) to Gromacs 23.2
#981
namehta4
opened
11 months ago
1
Corrected a typo in mklib
#980
Iximiel
closed
11 months ago
3
Question: How to use CONSTANT in keywords for Biases?
#979
Clownshift
closed
11 months ago
2
Debug: Unexpected results on RfaH-CTD conformation transition using Amber22+Plumed2.8.1
#978
freeenergylab
closed
11 months ago
3
Neighbourlist integer size
#977
Iximiel
closed
10 months ago
14
INTEL compiler not working on GH Actions
#976
GiovanniBussi
closed
10 months ago
5
update OPES explore bibliography
#975
invemichele
closed
1 year ago
0
Pytorch optimization
#974
luigibonati
closed
1 year ago
0
Update v2.9.md with the qe changes
#973
Iximiel
closed
1 year ago
0
Resolution function and PARAMETERS for SANS
#972
hmcezar
closed
1 year ago
4
Possible bugs in SPECIES keyword of Multicolvars functions
#971
davidfir3
opened
1 year ago
0
Plumed now fetches the masses from pw.x correctly (v2.9)
#970
Iximiel
closed
1 year ago
1
Updated python version requested from the ci (master)
#969
Iximiel
closed
1 year ago
1
Updated python version requested from the ci (v2.9)
#968
Iximiel
closed
1 year ago
2
Updated python version requested from the ci
#967
Iximiel
closed
1 year ago
3
Plumed now fetches the masses from pw.x correctly (v2.9)
#966
Iximiel
closed
1 year ago
1
Pytorch inference optimization
#965
luigibonati
closed
1 year ago
1
added regtest for XDistances
#964
mattu90
closed
1 year ago
1
RESIDUES=all used in ALPHARMSD and other secondary structure CV is case-sensitive
#963
valsson
closed
10 months ago
0
Pw patch masses
#962
Iximiel
closed
1 year ago
3
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