Commits · fe5d62c82d0626b1284ef2d721eb59c94e420e5d · 郑智淋 / lammps · GitLab

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Oct 28, 2019
- whitespace cleanup · fe5d62c8
  Axel Kohlmeyer authored Oct 28, 2019
  
  fe5d62c8
- partial2 is never initialized changing code to be like ewald/dipole instead · c7900cee
  Axel Kohlmeyer authored Oct 28, 2019
  
  c7900cee
Oct 26, 2019
- print warning when GPU pair style increases the communication cutoff · b3dbf792
  Axel Kohlmeyer authored Oct 21, 2019
  
  b3dbf792
- fix c-syntax in python error. · 9a7caebf
  Axel Kohlmeyer authored Oct 26, 2019
  
  9a7caebf
- Merge pull request #1735 from ndtrung81/gpu-mem-leak-init · b6313621
  Axel Kohlmeyer authored Oct 25, 2019
  b6313621
- Merge pull request #1742 from athomps/python-extract-compute-bug · c5b7b964
  Axel Kohlmeyer authored Oct 25, 2019
  c5b7b964
- fix another bug in extract_compute() method of LAMMPS python module · f21b059c
  Axel Kohlmeyer authored Oct 25, 2019
  
  f21b059c
- Merge pull request #1721 from akohlmey/fix-compiler-warnings · 873e0142
  Axel Kohlmeyer authored Oct 25, 2019
  873e0142
- fix typos · f7a6edd5
  Axel Kohlmeyer authored Oct 25, 2019
  
  f7a6edd5
- use fdotf consistently and not fdotfloc. · 5f39771f
  Axel Kohlmeyer authored Oct 25, 2019
  
  5f39771f
- not using fdofloc, so store results in fdotf · 9588de08
  Axel Kohlmeyer authored Oct 25, 2019
  
  9588de08
- revert changes to force tolerance computations · a54f191c
  Axel Kohlmeyer authored Oct 25, 2019
  
  a54f191c
- Merge branch 'master' into fix-compiler-warnings · 22288e06
  Axel Kohlmeyer authored Oct 25, 2019
  
  22288e06
- Merge pull request #1730 from ohenrich/user-cgdna · 33b14891
  Axel Kohlmeyer authored Oct 25, 2019
  33b14891
- Merge pull request #1732 from wmbrownIntel/doc-gayberne-update · 9ecbaf04
  Axel Kohlmeyer authored Oct 25, 2019
  9ecbaf04
- Merge pull request #1733 from wmbrownIntel/intel-cpp11-make · d805c7db
  Axel Kohlmeyer authored Oct 25, 2019
  d805c7db
- Merge pull request #1734 from jrgissing/arrhenius_constraint · 3d7881b3
  Axel Kohlmeyer authored Oct 25, 2019
  3d7881b3
- Merge pull request #1731 from akohlmey/safe-fread-calls · 6282f9aa
  Axel Kohlmeyer authored Oct 25, 2019
  6282f9aa
Oct 25, 2019
- Fixes bug in extract_compute() python method · 8f8bcf5f
  Aidan Thompson authored Oct 24, 2019
  
  8f8bcf5f
Oct 23, 2019
- Merge pull request #1738 from akohlmey/singularity-update · 634c0537
  Axel Kohlmeyer authored Oct 23, 2019
  634c0537
Oct 22, 2019
- Add PowerTools repo for CentOS8 Singularity definition · 648799ef
  Richard Berger authored Oct 22, 2019
  648799ef
Oct 21, 2019
- include info about ready-to-use images uploaded to the singularity library · 054766a3
  Axel Kohlmeyer authored Oct 21, 2019
  
  054766a3
- update singularity definition files · 5200d60d
  Axel Kohlmeyer authored Oct 21, 2019
  
  5200d60d
- put back overly eager deleted code that is used without -DNDEBUG · e7cb2f4c
  Axel Kohlmeyer authored Oct 21, 2019
  
  e7cb2f4c
- modernize fortran code in eam_database to replace features no longer allowed in fortran 2018 · b4b071ee
  Axel Kohlmeyer authored Oct 21, 2019
  
  b4b071ee
- silence compiler warning · 08b55c4c
  Axel Kohlmeyer authored Oct 20, 2019
  
  08b55c4c
- fix typos · c144b1af
  Axel Kohlmeyer authored Oct 20, 2019
  
  c144b1af
- update supported plumed library to version 2.5.3 · 6767fa56
  Axel Kohlmeyer authored Oct 20, 2019
  
  6767fa56
- remove bogus POEMS header files from AtC lib folder · 67512f8a
  Axel Kohlmeyer authored Oct 20, 2019
  
  67512f8a
- doc typo · e4440232
  jrgissing authored Oct 20, 2019
  
  e4440232
- resolve unused parameter warnings in USER-ATC package · b7055257
  Axel Kohlmeyer authored Oct 20, 2019
  
  b7055257
Oct 20, 2019
- Updated pppm · 86f64497
  Trung Nguyen authored Oct 20, 2019
  
  86f64497
- add lowercase 'arrhenius' keyword to spellcheck · a69bd040
  jrgissing authored Oct 19, 2019
  
  a69bd040
- Fixing issues with growing memory allocation with multiple init calls · dfbee325
  Trung Nguyen authored Oct 19, 2019
  
  dfbee325
- bond/react: Arrhenius constraint · d4291435
  jrgissing authored Oct 19, 2019
  
  d4291435
- Merge pull request #58 from lammps/master · 5d475088
  Jacob Gissinger authored Oct 19, 2019
  5d475088
- missed one unchecked call to ftruncate() · 118c2e5b
  Axel Kohlmeyer authored Oct 19, 2019
  
  118c2e5b
- make use of utils::sfgets() in a few more places · fd9da6f9
  Axel Kohlmeyer authored Oct 19, 2019
  
  fd9da6f9
Oct 19, 2019
- avoid buffer overflow · d8c86d9a
  Axel Kohlmeyer authored Oct 19, 2019
  
  d8c86d9a
- reorder initialization to match definition · fb37c6eb
  Axel Kohlmeyer authored Oct 19, 2019
  
  fb37c6eb

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