Commits · a54f191c2ad3f14d8146af9526b425b19fc74099 · 郑智淋 / lammps · GitLab

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Oct 26, 2019
- 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 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
- add lowercase 'arrhenius' keyword to spellcheck · a69bd040
  jrgissing authored Oct 19, 2019
  
  a69bd040
- 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
- update formatting to not be misleading · 0c433d57
  Axel Kohlmeyer authored Oct 19, 2019
  
  0c433d57
- remove dead code · 95c51542
  Axel Kohlmeyer authored Oct 19, 2019
  
  95c51542
- check status of ftruncate() in ave/* fixes · bf537ded
  Axel Kohlmeyer authored Oct 19, 2019
  
  bf537ded
- flag that MESSAGE package is not compatible with -DLAMMPS_BIGBIG · f4fcd2a9
  Axel Kohlmeyer authored Oct 19, 2019
  
  f4fcd2a9
- mass replace calls to fread() with utils::sfread() · 73892711
  Axel Kohlmeyer authored Oct 19, 2019
  
  73892711
- mirror changes to conventional build to forcibly enable c++11 for intel compilers · 7358a3ce
  Axel Kohlmeyer authored Oct 18, 2019
  
  7358a3ce
- fix off-by-one errors in ndx_group · e057ae18
  Axel Kohlmeyer authored Oct 18, 2019
  
  e057ae18
Oct 18, 2019
- refactor sfgets() and sfread() to both allow NULL filenames and guess from... · e2988c5c
  Axel Kohlmeyer authored Oct 18, 2019
  e2988c5c
- some more OpenMP related warnings squashed and code simplified · 34899ad8
  Axel Kohlmeyer authored Oct 18, 2019
  
  34899ad8
- reduce warnings related to OpenMP with clang · d1bf4d57
  Axel Kohlmeyer authored Oct 18, 2019
  
  d1bf4d57
- reduce some more compiler warnings · ed208fa4
  Axel Kohlmeyer authored Oct 18, 2019
  
  ed208fa4
- remove some dead code and reduce compiler warnings in SNAP package · 4e5520ce
  Axel Kohlmeyer authored Oct 18, 2019
  
  4e5520ce
- no need to overload Pair::init_style() when doing exactly the same in USER-CGDNA styles · a3f7d041
  Axel Kohlmeyer authored Oct 18, 2019
  
  a3f7d041
- reduce compiler warnings in USER-AWPMD · d684b705
  Axel Kohlmeyer authored Oct 18, 2019
  
  d684b705

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