plumed/plumed2

Issues

• Issue with installing INDUS patched into PLUMED

  #987 opened a year ago by sbkashif
  6

• Libtorch integration for ARM macs

  #1099 opened 4 months ago by andleb
  0

• Unable to compile Libtorch with Plumed

  #1077 opened 6 months ago by Esenmira
  1

• Plumed can't find libtorch

  #983 opened a year ago by zimb3l-priv
  3

• Error when patching plumed (v2.9) to Gromacs 23.2

  #981 opened a year ago by namehta4
  1

• Weird behavior of LOWER_WALLS

  #1091 opened 5 months ago by riccardocapelli
  0

• PDB functions not accepting negative residue numbers

  #1089 opened 5 months ago by carlocamilloni
  1

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

  #1086 opened 5 months ago by zhongxiang117
  6

• bug: ENERGY cv not working with gromacs

  #1085 opened 5 months ago by invemichele
  1

• Tutorials are harder to find

  #1013 opened 10 months ago by invemichele
  5

• Trouble compiling Plumed Patched Gromacs 2023

  #1079 opened 6 months ago by Arikite-netizen
  0

• Erroneous link in manual

  #1078 opened 6 months ago by aeszter
  0

• Writing the coordination with openACC

  #1075 opened 6 months ago by Iximiel
  3

• Compacting the data structure within PLMD::Tree

  #1073 opened 7 months ago by Iximiel
  1

• Implement shape detection in internal

  #1071 opened 7 months ago by GiovanniBussi
  0

• Implement shape detection in internal WithCmd tool

  #1072 opened 7 months ago by GiovanniBussi
  0

• GHOST and PBCs

  #1066 opened 7 months ago by GiovanniBussi
  0

• Temporarily commented out codecov

  #1065 opened 7 months ago by GiovanniBussi
  0

• Unable to compile and Install

  #1062 opened 7 months ago by shuvadipkhanra
  9

• Format of the manual

  #1046 opened 7 months ago by GiovanniBussi
  4

• Issue with coverage build

  #1060 opened 7 months ago by GiovanniBussi
  1

• epsilon variable in OPES_METAD

  #1057 opened 8 months ago by aniruddha-seal
  5

• Writing the coordination with ArrayFire

  #1049 opened 8 months ago by Iximiel
  0

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

  #1041 opened 9 months ago by Anujkumarp
  1

• Initializing a large number of CVs

  #1034 opened 9 months ago by lizhuzh
  5

• Solve problem with conda-build 24.1

  #1017 opened 9 months ago by GiovanniBussi
  1

• Possible bug in EMMI

  #1032 opened 9 months ago by GiovanniBussi
  1

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

  #1024 opened 9 months ago by GiovanniBussi
  2

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

  #1025 opened 9 months ago by GiovanniBussi
  3

• Possible bug in EDS and pesmd

  #1018 opened 9 months ago by GiovanniBussi
  1

• Optimize getWords()

  #1011 opened 10 months ago by GiovanniBussi
  1

• error in reweight procedure

  #1019 opened 10 months ago by gekbuccella
  0

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

  #1010 opened 10 months ago by erwusht
  1

• problems with the link to mpi libraries (plumed version 2.9.0)

  #1009 opened 10 months ago by gekbuccella
  2

• maze tutorial

  #1012 opened 10 months ago by amarye
  1

• A confusion in the PLUMED histogram documentation

  #1008 opened 10 months ago by erwusht
  0

• Issues with multiple degenerate groups using PBMetaD with PF

  #1005 opened a year ago by ruz088
  6

• our XYZ parser read a box even if a box is not there

  #999 opened a year ago by carlocamilloni
  7

• INTEL compiler not working on GH Actions

  #976 opened a year ago by GiovanniBussi
  5

• Make a new minimal driver

  #957 opened a year ago by carlocamilloni
  1

• Updated the DOC page on plumed.org

  #958 opened a year ago by carlocamilloni
  0

• RESIDUES=all used in ALPHARMSD and other secondary structure CV is case-sensitive

  #963 opened a year ago by valsson
  0

• Modules with conda-forge plumed

  #986 opened a year ago by gitkol
  3

• `asmjit` supported architectures

  #982 opened a year ago by casparvl
  4

• Question: How to use CONSTANT in keywords for Biases?

  #979 opened a year ago by Clownshift
  2

• Debug: Unexpected results on RfaH-CTD conformation transition using Amber22+Plumed2.8.1

  #978 opened a year ago by freeenergylab
  3

• Possible bugs in SPECIES keyword of Multicolvars functions

  #971 opened a year ago by davidfir3
  0

• Gromacs 2023.1 with plumed 2.9.0

  #960 opened a year ago by mattiabondanza
  7

• Bring the force calculation outside of simplemd

  #959 opened a year ago by GiovanniBussi
  1

• Issues with conda build

  #952 opened a year ago by GiovanniBussi
  1