Commits · 4da8ff3d219c6b63f8ad0b34ff97ca3f3553318e · 郑智淋 / lammps · GitLab

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Jun 08, 2020
- avoid division by zero · 4da8ff3d
  Axel Kohlmeyer authored Jun 07, 2020
  
  4da8ff3d
- port bugfix from fix qtb to fix qbmsst and some output simplification · fc1be785
  Axel Kohlmeyer authored Jun 07, 2020
  
  fc1be785
- correctly compute the size of the maxexchange buffer. we put all fixes into one buffer. · 5c123608
  Axel Kohlmeyer authored Jun 07, 2020
  
  5c123608
- use more common coding patterns, set maxexchange, use correct argument conversion functions · db9543ed
  Axel Kohlmeyer authored Jun 07, 2020
  
  db9543ed
Jun 07, 2020
- consolidate enumerator for per-atom array data types · cee7cd5f
  Axel Kohlmeyer authored Jun 07, 2020
  
  cee7cd5f
- more thorough checking if the reaxff force field is consistent. · edc7237f
  Axel Kohlmeyer authored Jun 07, 2020
  
  edc7237f
- add missing linefeed character · 586f2c00
  Axel Kohlmeyer authored Jun 07, 2020
  
  586f2c00
- recover compilation of the KIM package · 09a00541
  Axel Kohlmeyer authored Jun 06, 2020
  
  09a00541
- Merge pull request #2122 from rbberger/refactor-table-reading · 64664d0b
  Axel Kohlmeyer authored Jun 06, 2020
  64664d0b
Jun 06, 2020
- Fix whitespace · 2ed86525
  Richard Berger authored Jun 05, 2020
  
  2ed86525
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 52f59686
  Richard Berger authored Jun 05, 2020
  
  52f59686
- Merge pull request #2129 from akohlmey/collected-small-changes · a57a8a87
  Axel Kohlmeyer authored Jun 05, 2020
  a57a8a87
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 4f804f58
  Richard Berger authored Jun 05, 2020
  
  4f804f58
- remove .c_str() in several places because it is no longer neede · 04d7eacc
  Axel Kohlmeyer authored Jun 05, 2020
  
  04d7eacc
- Merge branch 'master' into collected-small-changes · c7ef89dc
  Axel Kohlmeyer authored Jun 05, 2020
  
  c7ef89dc
- Change next_dvector(n, buf) to next_dvector(buf, n) · 2203e1e9
  Richard Berger authored Jun 05, 2020
  
  2203e1e9
- Merge pull request #2128 from akohlmey/more-fmtlib-and-string · 12386945
  Axel Kohlmeyer authored Jun 05, 2020
  12386945
- make KOKKOS library compilation compatible with mode=shared · 9bf47cd9
  Axel Kohlmeyer authored Jun 05, 2020
  
  9bf47cd9
- Fix error message in pair_airebo.cpp · 8b546959
  Richard Berger authored Jun 05, 2020
  
  8b546959
- Fix error message in bond_table.cpp · 4d99092e
  Richard Berger authored Jun 05, 2020
  
  4d99092e
- Remove more c_str() · a42a86c0
  Richard Berger authored Jun 05, 2020
  
  a42a86c0
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 7df387f7
  Richard Berger authored Jun 05, 2020
  
  7df387f7
Jun 05, 2020
- Simplify by using next_values() helper · cd08dc84
  Richard Berger authored Jun 05, 2020
  
  cd08dc84
- make definition consistent and silence a whole bunch of warnings from recent clang versions · 78468f41
  Axel Kohlmeyer authored Jun 05, 2020
  
  78468f41
- Merge branch 'master' into more-fmtlib-and-string · f547d661
  Axel Kohlmeyer authored Jun 05, 2020
  f547d661
- Merge pull request #2127 from akohlmey/error-using-string-class · 86382854
  Axel Kohlmeyer authored Jun 05, 2020
  86382854
- add workaround for compilation error with MPIIO on windows due to old ROMIO API · 9ba84f37
  Axel Kohlmeyer authored Jun 05, 2020
  
  9ba84f37
- whitespace fix · ad76f526
  Axel Kohlmeyer authored Jun 05, 2020
  
  ad76f526
- remove TAGINT_FORMAT from ntopo styles · d874e8a2
  Axel Kohlmeyer authored Jun 05, 2020
  
  d874e8a2
- get rid of BIGINT_FORMAT and use utils::logmesg() · 73c6171a
  Axel Kohlmeyer authored Jun 05, 2020
  
  73c6171a
- simplify writing restarts a bit more · 8ed32f95
  Axel Kohlmeyer authored Jun 05, 2020
  
  8ed32f95
- use const char * for compatibility with std::string.c_str() · 8814fc01
  Axel Kohlmeyer authored Jun 05, 2020
  
  8814fc01
- fixup whitespace · 3e289bbc
  Axel Kohlmeyer authored Jun 04, 2020
  
  3e289bbc
- fix typo · 0ee13939
  Axel Kohlmeyer authored Jun 04, 2020
  
  0ee13939
- fix up change_box and displace_atoms lost atoms error message · 48b7b7d7
  Axel Kohlmeyer authored Jun 04, 2020
  
  48b7b7d7
- get rid of more BIGINT_FORMAT macros · 923e7408
  Axel Kohlmeyer authored Jun 04, 2020
  
  923e7408
- use {fmt} to write out atomic data · c02c352c
  Axel Kohlmeyer authored Jun 04, 2020
  
  c02c352c
- get rid of BIGINT_FORMAT and use std::string.replace() to expand time step in... · 439eee3b
  Axel Kohlmeyer authored Jun 04, 2020
  439eee3b
- more local buffers removed and file error status added. · 54a8b4e0
  Axel Kohlmeyer authored Jun 04, 2020
  
  54a8b4e0
- Move common potentials opening code to utils · 4a6d3bc0
  Richard Berger authored Jun 04, 2020
  
  4a6d3bc0

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