Commits · 23b73a0ebcba58a6c640daa471133daf401834c7 · 郑智淋 / lammps · GitLab

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Jan 08, 2020
- plug small memory leak · 23b73a0e
  Axel Kohlmeyer authored Jan 07, 2020
  
  23b73a0e
- refactor fix for detecting intel pair styles in hybrid pair styles · f8ad7cc9
  Axel Kohlmeyer authored Jan 07, 2020
  
  f8ad7cc9
- avoid uninitialized memory access when used with hybrid styles · 4c974c6d
  Axel Kohlmeyer authored Jan 07, 2020
  
  4c974c6d
- fix small memory leak in USER-INTEL binning style · 7470a120
  Axel Kohlmeyer authored Jan 07, 2020
  
  7470a120
Jan 07, 2020
- silence warnings from generic OpenCL header files (as seen on Fedora 31) · 66a47345
  Axel Kohlmeyer authored Jan 06, 2020
  
  66a47345
- fix typo in fix ave/atom docs · 8ac2da79
  Axel Kohlmeyer authored Jan 06, 2020
  
  8ac2da79
- correct whitespace issue in dynamical_matrix.cpp · 5500198b
  Axel Kohlmeyer authored Jan 06, 2020
  
  5500198b
- correct whitespace issues in pair_meamc.cpp · 394e5459
  Axel Kohlmeyer authored Jan 06, 2020
  
  394e5459
- Merge branch 'master' into collected-small-fixes · fbc0b8a8
  Axel Kohlmeyer authored Jan 06, 2020
  
  fbc0b8a8
- Merge pull request #1783 from ares201005/fix_dynmat · 00dfde29
  Axel Kohlmeyer authored Jan 06, 2020
  00dfde29
- Merge pull request #1798 from martok/meamc-dec19 · 1be81096
  Axel Kohlmeyer authored Jan 06, 2020
  1be81096
Jan 03, 2020
- need to explicitly run pair_init_check() inside kspace_init_check() for hybrid styles · a63792a0
  Axel Kohlmeyer authored Jan 03, 2020
  
  a63792a0
- use regex pattern matching to make style lookup more specific with less code · 2f6018b0
  Axel Kohlmeyer authored Jan 03, 2020
  
  2f6018b0
- print intel package status message only once per run · e11374d4
  Axel Kohlmeyer authored Jan 03, 2020
  
  e11374d4
Dec 22, 2019
- add stan/steve as code owners for minimizer changes · a72f53e3
  Axel Kohlmeyer authored Dec 21, 2019
  
  a72f53e3
Dec 20, 2019
- correct truncated AlCu.bop.table potential file from Xiaoweng Zhou · 21f454c0
  Axel Kohlmeyer authored Dec 20, 2019
  
  21f454c0
- Merge pull request #1795 from jrgissing/bond/react-chiral_centers · 402f5585
  Axel Kohlmeyer authored Dec 19, 2019
  402f5585
- Merge pull request #1816 from stanmoore1/kk_min_fix · 5a2074cc
  Axel Kohlmeyer authored Dec 19, 2019
  5a2074cc
- Merge pull request #1807 from ndtrung81/gpu-readme-update · 8283e68c
  Axel Kohlmeyer authored Dec 19, 2019
  8283e68c
- Merge pull request #1812 from ohenrich/user-cgdna · 27180e0b
  Axel Kohlmeyer authored Dec 19, 2019
  27180e0b
- Merge pull request #1813 from wmbrownIntel/user-intel-tri-fix · 6192741f
  Axel Kohlmeyer authored Dec 19, 2019
  6192741f
- Bug fix for lj/class2/coul/long/gpu · 92b2e425
  Jianhua Pan authored Dec 02, 2019
  
  92b2e425
- Fix issue in Kokkos minimize · 7d167833
  Stan Moore authored Dec 19, 2019
  
  7d167833
Dec 18, 2019
- Added oxRNA2 files to .gitignore · d05f32d1
  Oliver Henrich authored Dec 18, 2019
  
  d05f32d1
- Bug fix for USER-INTEL package with triclinic neighbor builds. · 3be04e46
  Michael Brown authored Dec 18, 2019
  
  3be04e46
- Add range checks for MathSpecial::fm_exp · cb20cb9f
  Sebastian Hütter authored Dec 17, 2019
  
  cb20cb9f
- MEAM/C: remove unused variable alias · a231197c
  Sebastian Hütter authored Dec 17, 2019
  
  a231197c
- MEAM/C: document new reference structures · 1be9364a
  Sebastian Hütter authored Dec 03, 2019
  
  1be9364a
- Corrected the wrong use of the stubs path in -rpath · 4c3ec145
  Trung Nguyen authored Dec 17, 2019
  
  4c3ec145
Dec 16, 2019
- may only close files on MPI ranks that have a file reader instance · 55fde76d
  Axel Kohlmeyer authored Dec 16, 2019
  
  55fde76d
Dec 14, 2019
- Merge pull request #1796 from athomps/compute-snap-tweak · 6c3161cb
  Richard Berger authored Dec 13, 2019
  6c3161cb
Dec 13, 2019
- Merge pull request #1794 from yafshar/master · 8030ff25
  Richard Berger authored Dec 12, 2019
  8030ff25
- Mark LMP_NO_SSL_CHECK and LMP_DEBUG_CURL as advanced options · 1f9f85e7
  Richard Berger authored Dec 12, 2019
  
  1f9f85e7
- Certificate Verification · b0d0037f
  Yaser Afshar authored Dec 12, 2019
  b0d0037f
- Merge pull request #1806 from akohlmey/mpi-info-in-help · a1e49ece
  Richard Berger authored Dec 12, 2019
  a1e49ece
- Merge pull request #1802 from rbberger/small-fixes · 96f75c7b
  Richard Berger authored Dec 12, 2019
  96f75c7b
Dec 12, 2019
- More minor update to README · 7e8a04d9
  Trung Nguyen authored Dec 12, 2019
  
  7e8a04d9
- Update fix_bond_react.rst · bde8b57f
  jrgissing authored Dec 11, 2019
  
  bde8b57f
- Updated README and added -L$(CUDA_HOME)/lib64/stubs to the Makefile's · 99ba15bf
  Trung Nguyen authored Dec 11, 2019
  
  99ba15bf
- Merge pull request #1803 from stanmoore1/kk_mpi · 5e4e6b28
  Richard Berger authored Dec 11, 2019
  5e4e6b28

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