Commits · 5.1.0-pre · ccp5 / dl-poly

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Dec 17, 2021
- Merge branch 'plumed' into 'devel' · 53c3a913
  Alin Marin Elena authored Dec 17, 2021
  View commits for tag 5.1.0-pre 5.1.0-pre
  
  53c3a913
- add instructions for archer · c6da24ab
  Alin Elena authored Dec 17, 2021
  
  c6da24ab
Dec 13, 2021
- Merge branch 'timer' into 'devel' · 10a0867d
  Alin Marin Elena authored Dec 13, 2021
  10a0867d
- do not call the finaliser explicitly on timer · 8b206896
  Alin Elena authored Dec 13, 2021
  
  8b206896
- Merge branch 'cray-fix' into 'devel' · b882eca9
  Alin Marin Elena authored Dec 13, 2021
  b882eca9
Nov 26, 2021
- Merge branch 'valgrind' into 'devel' · 18f19734
  Alin Marin Elena authored Nov 26, 2021
  18f19734
- new control sets traj keys consistent with the old · c066655b
  Alin Elena authored Nov 26, 2021
  
  c066655b
Oct 29, 2021
- keep valgrind happy · cdfe1f2d
  Alin Elena authored Oct 29, 2021
  
  cdfe1f2d
Oct 20, 2021
- Merge branch 'ylu-dlp-interface-bug' into 'devel' · 0a52283a
  Alin Marin Elena authored Oct 20, 2021
  0a52283a
Oct 19, 2021
- Renamed the macro INTERFACE to INTERFACED to avoid name clashing (already changed in meta.F90) · 8dde417f
  You Lü authored Oct 19, 2021
  
  8dde417f
- Merge branch '1997-chemshell-interface' into 'devel' · a91430f7
  Alin Marin Elena authored Oct 19, 2021
  a91430f7
- Resolve "Source file containing main routine for Py-ChemShell" · 41a7aa1f
  You Lü authored Oct 19, 2021
  
  41a7aa1f
Oct 12, 2021
- try to keep valgrind happy · 50e287c3
  Alin Elena authored Oct 12, 2021
  
  50e287c3
- try to keep valgrind happy · edf0dece
  Alin Elena authored Oct 12, 2021
  
  edf0dece
Oct 11, 2021
- Placeholder fix to allow run completion when compiled with CCE v10,11 · e950073d
  Ryan Hunt authored Oct 11, 2021
  e950073d
Oct 08, 2021
- Merge branch 'issue1998' into 'devel' · 42c0203d
  Alin Marin Elena authored Oct 08, 2021
  42c0203d
Oct 07, 2021
- metal.F90 fix · 815850e7
  Ilian Todorov authored Oct 08, 2021
  
  815850e7
Oct 06, 2021
- Merge branch 'var-tstep-fix' into 'devel' · 2c6642b1
  Alin Marin Elena authored Oct 06, 2021
  2c6642b1
Oct 01, 2021
- Improve stability Langevin Impulse, fix variable timesteps. · 76b1d2a1
  Ryan Hunt authored Oct 01, 2021
  76b1d2a1
Aug 03, 2021
- Merge branch 'new-cont-err-mess' into 'devel' · 63ad89a6
  Alin Marin Elena authored Aug 03, 2021
  63ad89a6
Aug 02, 2021
- Improve error messages and handling in new control scheme · 3ddeb7ef
  Jacob Wilkins authored Aug 02, 2021
  
  3ddeb7ef
Jul 02, 2021
- Merge branch 'ttm_fixes' into 'devel' · 9f18a4f5
  Alin Marin Elena authored Jul 02, 2021
  9f18a4f5
- TTM Bugfixes · 57b8b351
  Ryan Hunt authored Jul 02, 2021 and Ryan Hunt committed Jul 02, 2021
  57b8b351
Jul 01, 2021
- Merge branch '1993_minimisation_criterion' into 'devel' · af51e695
  Alin Marin Elena authored Jul 01, 2021
  af51e695
- Fix issue with minimisation criterion units · 6e083617
  Jacob Wilkins authored Jul 01, 2021
  
  6e083617
Jun 28, 2021
- Merge branch 'revcon' into 'devel' · a7803240
  Alin Marin Elena authored Jun 28, 2021
  a7803240
- print revcon as often as you do revive... this is a regression probably by... · c3b95d62
  Alin Elena authored Jun 28, 2021
  c3b95d62
Apr 08, 2021
- Merge branch 'nvidia' into 'devel' · 6ab1ee12
  Alin Marin Elena authored Apr 08, 2021
  6ab1ee12
- check before deallocating defects fixes #1990 · e48d1fed
  Alin Elena authored Apr 08, 2021
  
  e48d1fed
- keep nvidia compiles happy till they catch up with modern fortran · 5d021972
  Alin Elena authored Apr 08, 2021
  
  5d021972
Apr 07, 2021
- Update development.F90 · 4df15e6d
  Alin Marin Elena authored Apr 07, 2021
  
  4df15e6d
- Update dl_poly.F90 · d687c8bb
  Alin Marin Elena authored Apr 07, 2021
  
  d687c8bb
- Update constants.F90 · 97ce936b
  Alin Marin Elena authored Apr 07, 2021
  
  97ce936b
- Update dl_poly.F90 · 574719ea
  Alin Marin Elena authored Apr 07, 2021
  
  574719ea
Apr 01, 2021
- Update README.md · ce0f86a3
  Alin Marin Elena authored Apr 01, 2021
  
  ce0f86a3
Mar 26, 2021
- Update README.md · 9cea361d
  Alin Marin Elena authored Mar 26, 2021
  
  9cea361d
Mar 25, 2021
- Merge branch 'drFaustroll-devel-patch-45317' into 'devel' · 88a0c62d
  Alin Marin Elena authored Mar 25, 2021
  88a0c62d
- Update README.md · ed230e01
  Alin Marin Elena authored Mar 25, 2021
  
  ed230e01
- Merge branch 'certik-devel-patch-75539' into 'devel' · 0da926fc
  Alin Marin Elena authored Mar 25, 2021
  0da926fc
- README: make the links work · eb168800
  Ondřej Čertík authored Mar 25, 2021
  
  eb168800