Commits · 895d4fa9275c7366ccf10387833949ca584e4dee · 郑智淋 / lammps · GitLab

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Jul 20, 2019
- Merge pull request #1575 from akohlmey/better-error-checking-on-parsing · 895d4fa9
  Axel Kohlmeyer authored Jul 19, 2019
  895d4fa9
- update fix tmd input similar to read_data · 276e3b2d
  Axel Kohlmeyer authored Jul 19, 2019
  
  276e3b2d
- Merge pull request #1573 from ohenrich/user-cgdna · 67b74aea
  Axel Kohlmeyer authored Jul 19, 2019
  67b74aea
- more sscanf() return value checking · e72aef2a
  Axel Kohlmeyer authored Jul 19, 2019
  
  e72aef2a
Jul 19, 2019
- fix typo · d730ef5b
  Axel Kohlmeyer authored Jul 19, 2019
  
  d730ef5b
- improve parsing of data file header · 1de00aaa
  Axel Kohlmeyer authored Jul 19, 2019
  1de00aaa
- checking return value of ?scanf() calls to detect problems parsing files · 8526e7a4
  Axel Kohlmeyer authored Jul 19, 2019
  
  8526e7a4
- add metachars '\i' and '\f' to regexp for interger and floating point number chars · 4c328bf8
  Axel Kohlmeyer authored Jul 19, 2019
  
  4c328bf8
- Clarified explanation of new example3 · c2643a51
  Oliver Henrich authored Jul 19, 2019
  
  c2643a51
- Removed references to pair_oxdna2_stk · 0ee0ea10
  Oliver Henrich authored Jul 19, 2019
  
  0ee0ea10
- Added comment on new duplex3 · 57fd9723
  Oliver Henrich authored Jul 19, 2019
  
  57fd9723
- Updated extended documentation · e2a7cdc4
  Oliver Henrich authored Jul 19, 2019
  
  e2a7cdc4
- Merge pull request #1570 from julient31/spin-update · 92b53c7b
  Axel Kohlmeyer authored Jul 19, 2019
  92b53c7b
- Updated input and log files, amended comment in data files · 7bf97577
  Oliver Henrich authored Jul 19, 2019
  
  7bf97577
- Corrected virial, altered calculation of stacking strength · 3acb09e3
  Oliver Henrich authored Jul 19, 2019
  
  3acb09e3
Jul 18, 2019
- Commit2 JT 071719 · 22b73a31
  julient31 authored Jul 17, 2019
  22b73a31
- Commit JT 071719 · 60ebc08d
  julient31 authored Jul 17, 2019
  60ebc08d
Jul 16, 2019
- Merge pull request #1563 from stanmoore1/kk_setforce · 0a90032b
  Axel Kohlmeyer authored Jul 15, 2019
  0a90032b
Jul 13, 2019
- Merge pull request #1561 from akohlmey/fix-user-intel-nve-bug · 6742f371
  Axel Kohlmeyer authored Jul 12, 2019
  6742f371
- Merge pull request #1562 from athomps/langevin-rm-notemplate · 61220f9b
  Axel Kohlmeyer authored Jul 12, 2019
  61220f9b
- Merge pull request #1564 from akohlmey/gpu-lib-clang-cplusplus · 3e90b82c
  Axel Kohlmeyer authored Jul 12, 2019
  3e90b82c
- make clang++ happy when trying to compile the GPU library · e832b5d5
  Axel Kohlmeyer authored Jul 12, 2019
  
  e832b5d5
- Fix bug in fix_setforce_kokkos · a51479a6
  Stan Moore authored Jul 12, 2019
  
  a51479a6
- Removed TEMPLATED_FIX_LANGEVIN ifdef · 08ed046a
  Aidan Thompson authored Jul 12, 2019
  
  08ed046a
Jul 12, 2019
- fix bug reported by jesse carter on lammps-users · 944c3bc9
  Axel Kohlmeyer authored Jul 11, 2019
  
  944c3bc9
Jul 11, 2019
- Merge pull request #1560 from stanmoore1/kk_halffull · 7109c101
  Axel Kohlmeyer authored Jul 11, 2019
  7109c101
- Update comment · 789d6a99
  Stan Moore authored Jul 10, 2019
  
  789d6a99
- Fix issue in Kokkos neigh list when using half-from-full · 39873fb7
  Stan Moore authored Jul 10, 2019
  
  39873fb7
- Merge pull request #1559 from akohlmey/validate-more-data-file-numbers · a1a77549
  Axel Kohlmeyer authored Jul 10, 2019
  a1a77549
Jul 10, 2019
- Merge pull request #1558 from lammps/bop-atomic-stress · 0eba1c1c
  Axel Kohlmeyer authored Jul 10, 2019
  0eba1c1c
- replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes · 054ff97a
  Axel Kohlmeyer authored Jul 10, 2019
  
  054ff97a
- add missing term to per-atom stress · d6ed4ee1
  Steve Plimpton authored Jul 09, 2019
  
  d6ed4ee1
- Merge pull request #1551 from martok/meamc-embedding · 691fc357
  Axel Kohlmeyer authored Jul 09, 2019
  691fc357
- Merge pull request #1552 from akohlmey/validate-data-file-numbers · 53b8e329
  Axel Kohlmeyer authored Jul 09, 2019
  53b8e329
- Merge pull request #1553 from athomps/read_dump_xyz · 64faa6c6
  Axel Kohlmeyer authored Jul 09, 2019
  64faa6c6
- Merge pull request #1555 from stanmoore1/kk_neigh · 0d15c57f
  Axel Kohlmeyer authored Jul 09, 2019
  0d15c57f
Jul 09, 2019
- Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs · 5013fd69
  Stan Moore authored Jul 09, 2019
  
  5013fd69
- Updated USER-MOLFILE · 7a627170
  Aidan Thompson authored Jul 08, 2019
  
  7a627170
- Added the boxinfo argument · 74414afd
  Aidan Thompson authored Jul 08, 2019
  
  74414afd
- fix bug in atom style wavepacket · cbdc5dba
  Axel Kohlmeyer authored Jul 08, 2019
  
  cbdc5dba

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