Commits · 276e3b2df10e5f3ea160986f090651182b56aa5d · 郑智淋 / lammps · GitLab

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Jul 20, 2019
- update fix tmd input similar to read_data · 276e3b2d
  Axel Kohlmeyer authored Jul 19, 2019
  
  276e3b2d
- 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
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
- use alternate implementation of numeric conversion functions · cfaa5372
  Axel Kohlmeyer authored Jul 08, 2019
  cfaa5372
Jul 08, 2019
- Fixed a few problems with read_dump xyz · 65e281d6
  Aidan Thompson authored Jul 07, 2019
  
  65e281d6
- need to include 'force.h' header for conversion functions · b469ff67
  Axel Kohlmeyer authored Jul 07, 2019
  
  b469ff67
- validate more numbers read from data files through using... · 15e1b395
  Axel Kohlmeyer authored Jul 07, 2019
  15e1b395
Jul 06, 2019
- Merge pull request #1544 from akohlmey/collected-small-fixes · c00f2adb
  Axel Kohlmeyer authored Jul 05, 2019
  c00f2adb
- Merge pull request #1550 from ndtrung81/lj96-fixes · e123b6f0
  Axel Kohlmeyer authored Jul 05, 2019
  e123b6f0
- Minor clean-up · 46a9772a
  Trung Nguyen authored Jul 05, 2019
  
  46a9772a
Jul 05, 2019
- MEAM/C: code optimization for faster codegen · 7efb42f0
  Sebastian Hütter authored May 13, 2019
  
  7efb42f0
- MEAM/C: code commenting · 0d4bb861
  Sebastian Hütter authored Apr 10, 2019
  
  0d4bb861
- Check MEAM parameters for t0=1.0, mention this fact in documentation · 8dcb42d4
  Sebastian Hütter authored Mar 28, 2019
  
  8dcb42d4
- Factor out embedding function, make sure documented logic for emb_lin_neg is obeyed · 2f72b9f1
  Sebastian Hütter authored Mar 28, 2019
  
  2f72b9f1

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