plumed/plumed2

Issues

• maze tutorial

  #1012 opened 3 months ago by amarye
  3

• [WIP]Changing style a guide to branch conflicts

  #1157 opened 2 months ago by Iximiel
  0

• A solution for an issue with dlopen

  #1156 opened 2 months ago by Iximiel
  0

• PYTORCH_MODEL with CUDA 11.2

  #1154 opened 2 months ago by alexberlaga
  2

• Wrong gromacs compatibility in the v2.9.2 manual

  #1153 opened 2 months ago by MaximeSongIdris
  0

• Regarding gnn-cv and gpu support

  #1151 opened 2 months ago by chlwjd1234
  0

• Unable to compile Libtorch with Plumed

  #1077 opened 8 months ago by Esenmira
  5

• rt-coverage-antibetarmsd fails on v2.10 while pass on v2.9

  #1150 opened 3 months ago by carlocamilloni
  0

• Is PLUMED driver parallelized?

  #1149 opened 3 months ago by lizhuzh
  0

• Issue with PBMETAD + SELECTOR

  #1143 opened 3 months ago by GiovanniBussi
  2

• Regtest failing with segfault in v2.9

  #1142 opened 3 months ago by carlocamilloni
  1

• Issue with new implementation of ParaBetaRMSD

  #1137 opened 3 months ago by GiovanniBussi
  1

• Derivatives of RMSD

  #1138 opened 3 months ago by lizhuzh
  3

• Consider releasing the GIL in the Python interface

  #1128 opened 3 months ago by Luthaf
  5

• sum_hills error

  #1135 opened 3 months ago by KrishnenduSinha12
  1

• Problems with launching a LOADed pycv from the python interface

  #1133 opened 3 months ago by Iximiel
  1

• Weird behavior of LOWER_WALLS

  #1091 opened 3 months ago by riccardocapelli
  3

• internal compiler error since 24.4 (24.4, 24.7, 24.9)

  #1124 opened 3 months ago by mfvalin
  1

• internal compiler error since 24.4 (24.4, 24.7, 24.9)

  #1120 opened 3 months ago by mfvalin
  5

• CONTACTMAP saturates all the available cores

  #1121 opened 4 months ago by riccardocapelli
  1

• REST2 in gromacs2024.2 not working

  #1110 opened 4 months ago by JuroDobias
  2

• Error libplumedKernel.so after installing Plumed

  #1107 opened 5 months ago by michelalib
  1

• Libtorch integration for ARM macs

  #1099 opened 6 months ago by andleb
  1

• PDB functions not accepting negative residue numbers

  #1089 opened 7 months ago by carlocamilloni
  1

• Error when patching plumed (v2.9.1) to Gromacs 23.5

  #1086 opened 7 months ago by zhongxiang117
  6

• bug: ENERGY cv not working with gromacs

  #1085 opened 7 months ago by invemichele
  1

• Tutorials are harder to find

  #1013 opened a year ago by invemichele
  5

• Trouble compiling Plumed Patched Gromacs 2023

  #1079 opened 8 months ago by Arikite-netizen
  0

• Erroneous link in manual

  #1078 opened 8 months ago by aeszter
  0

• Writing the coordination with openACC

  #1075 opened 8 months ago by Iximiel
  3

• Compacting the data structure within PLMD::Tree

  #1073 opened 8 months ago by Iximiel
  1

• Implement shape detection in internal

  #1071 opened 8 months ago by GiovanniBussi
  0

• Implement shape detection in internal WithCmd tool

  #1072 opened 8 months ago by GiovanniBussi
  0

• GHOST and PBCs

  #1066 opened 8 months ago by GiovanniBussi
  0

• Temporarily commented out codecov

  #1065 opened 9 months ago by GiovanniBussi
  0

• Unable to compile and Install

  #1062 opened 9 months ago by shuvadipkhanra
  9

• Format of the manual

  #1046 opened 9 months ago by GiovanniBussi
  4

• Issue with coverage build

  #1060 opened 9 months ago by GiovanniBussi
  1

• epsilon variable in OPES_METAD

  #1057 opened 9 months ago by aniruddha-seal
  5

• Writing the coordination with ArrayFire

  #1049 opened 10 months ago by Iximiel
  0

• Confusion is energy units of free energy in well-tempered metadynamics.

  #1041 opened 10 months ago by Anujkumarp
  1

• Initializing a large number of CVs

  #1034 opened a year ago by lizhuzh
  5

• Solve problem with conda-build 24.1

  #1017 opened a year ago by GiovanniBussi
  1

• Possible bug in EMMI

  #1032 opened a year ago by GiovanniBussi
  1

• Possible slow down in htt (merging large vectors twice per step)

  #1024 opened a year ago by GiovanniBussi
  2

• Possible slow-down in htt (setting values in MPI code)

  #1025 opened a year ago by GiovanniBussi
  3

• Possible bug in EDS and pesmd

  #1018 opened a year ago by GiovanniBussi
  1

• Optimize getWords()

  #1011 opened a year ago by GiovanniBussi
  1

• error in reweight procedure

  #1019 opened a year ago by gekbuccella
  0

• Could I dump the indices of atoms of a CV with PLUMED directly?

  #1010 opened a year ago by erwusht
  1