Commits · devel · Ondřej Čertík / dl-poly · GitLab

Mar 11, 2021
- Merge branch 'internal_kim' into 'devel' · 5116b3bd
  Alin Marin Elena authored Mar 11, 2021
  5116b3bd
- pass the compilers to plumed when use internal building · 76f504f7
  Alin Elena authored Mar 11, 2021
  
  76f504f7
- pass the compilers to kim when use internal building · 3ebc3a5f
  Alin Elena authored Mar 11, 2021
  
  3ebc3a5f
- Merge branch 'issue1989' into 'devel' · bc0bb89d
  Alin Marin Elena authored Mar 11, 2021
  bc0bb89d
- make lapack dep not required since this can be overwritten via compiler flags,... · f795971e
  Alin Elena authored Mar 11, 2021
  f795971e
Feb 28, 2021
- Merge branch 'release' into 'devel' · f8aaa10e
  Alin M Elena authored Feb 28, 2021
  View commits for tag 5.0.0 5.0.0
  
  f8aaa10e
- add release notes · 31a868b5
  Alin M Elena authored Feb 28, 2021
  
  31a868b5
Feb 27, 2021
- Merge branch 'varia' into 'devel' · 83a96812
  Alin M Elena authored Feb 27, 2021
  83a96812
- keep pedantic linkers happy for shared libs · b586e8ec
  Alin M Elena authored Feb 27, 2021
  
  b586e8ec
- add easybuild · 8abdcae4
  Alin M Elena authored Feb 27, 2021
  
  8abdcae4
- bump the version · 20b33c6a
  Alin M Elena authored Feb 27, 2021
  
  20b33c6a
Feb 25, 2021
- Merge branch 'manual-b' into 'devel' · 27c7974b
  Alin M Elena authored Feb 25, 2021
  27c7974b
- update manual and contributions guide to redlect gitlab and license change · 4782d770
  Alin M Elena authored Feb 25, 2021
  
  4782d770
Feb 24, 2021
- Merge branch 'ktl61935-devel-patch-27509' into 'devel' · 933173a6
  Alin M Elena authored Feb 24, 2021
  View commits for tag 5.0.0-pre 5.0.0-pre
  
  933173a6
- Update LICENCE to lgpl 3.0 as per discussions · 735dc55a
  Alin M Elena authored Feb 24, 2021
  
  735dc55a
Feb 04, 2021
- Merge branch 'enum-ttm' into 'devel' · af6fd7af
  Alin M Elena authored Feb 04, 2021
  af6fd7af
- Replace TTM magic numbers with enums · 37e20398
  Jacob Wilkins authored Feb 04, 2021
  
  37e20398
- Merge branch 'issue-591' into 'devel' · 5c3b36b8
  Alin M Elena authored Feb 04, 2021
  5c3b36b8
- Merge branch 'issue-586' into 'devel' · 97f1866f
  Alin M Elena authored Feb 04, 2021
  97f1866f
- Merge branch 'ollymanual' into 'devel' · 3e036810
  Alin M Elena authored Feb 04, 2021
  3e036810
- Addressing issue-591 · 11029e4f
  Ivan authored Feb 04, 2021
  
  11029e4f
- Address issue-586 · 6399f253
  Ivan authored Feb 04, 2021
  
  6399f253
Feb 03, 2021
- O Dicks has updated the manual text dealing with the ICOORD, CCOORD and ADFDAT section and keywords · 2938d661
  Oliver Dicks authored Feb 03, 2021
  
  2938d661
Dec 02, 2020
- Merge branch 'issue609' into 'devel' · 46ee6fee
  Michael Seaton authored Dec 02, 2020
  46ee6fee
- Properly defines TTM heat capacity parameter for redistributing electronic energy, fixes #609 · 3e9630e0
  Michael Seaton authored Dec 02, 2020
  
  3e9630e0
Nov 10, 2020
- Merge branch 'iomaster' into 'devel' · 8cfbe341
  Alin M Elena authored Nov 10, 2020
  8cfbe341
Nov 09, 2020
- fix broken iomaster, fixes #593 · 4a9b5635
  Alin M Elena authored Nov 09, 2020
  
  4a9b5635
- Merge branch 'issue597' into 'devel' · 678ad4db
  Michael Seaton authored Nov 09, 2020
  678ad4db
- issue597 - fixes core_shells_on_top shells wrap-around crossing MD box by... · ae3ef32d
  Ilian Todorov authored Nov 09, 2020
  ae3ef32d
- Merge branch 'config' into 'devel' · a52a0f45
  Alin M Elena authored Nov 09, 2020
  a52a0f45
- be explicit on contiguous in struct. · 407fa579
  Alin M Elena authored Nov 09, 2020
  
  407fa579
Nov 05, 2020
- Merge branch 'issue596' into 'devel' · b240005a
  Alin M Elena authored Nov 05, 2020
  b240005a
- correctly zero the right components in dihefral forces, fixes #596 · 657850ae
  Alin M Elena authored Nov 05, 2020
  
  657850ae
- Merge branch 'fix-write-control-param' into 'devel' · e49e275b
  Alin M Elena authored Nov 05, 2020
  e49e275b
- Fix replay forces · 524c05ec
  Jacob Wilkins authored Nov 05, 2020
  
  524c05ec
- Remove value from dump_parameters · 138257a5
  Jacob Wilkins authored Nov 05, 2020
  
  138257a5
- Use the right variables in write_control_param addresses #607 · 638ddeeb
  Jacob Wilkins authored Nov 05, 2020
  
  638ddeeb
Nov 04, 2020
- Merge branch 'issue602' into 'devel' · 1e5787bd
  Alin M Elena authored Nov 04, 2020
  1e5787bd
- allow three forcefields, for evb fixes #601 · f907cd68
  Alin M Elena authored Nov 04, 2020
  
  f907cd68
- broadcast cli parameters, fixes #602 · c294b084
  Alin M Elena authored Nov 04, 2020
  
  c294b084