Commits · 12b379df36be916ac68f26fb2c0acfdc21a2df15 · 郑智淋 / lammps · GitLab

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Jun 15, 2020
- improve MEAM file detection in pair_coeff command, get rid of ERRFMT() · 12b379df
  Axel Kohlmeyer authored Jun 15, 2020
  
  12b379df
- initialize _need_tag differently. · a7e2cc33
  Axel Kohlmeyer authored Jun 14, 2020
  
  a7e2cc33
- make sure _need_tag in intel buffers is always initialized for all precision settings · 59dcf2d7
  Axel Kohlmeyer authored Jun 14, 2020
  
  59dcf2d7
- update code owners · b0678808
  Axel Kohlmeyer authored Jun 14, 2020
  
  b0678808
- add and document new "download" preset · b3a99f31
  Axel Kohlmeyer authored Jun 14, 2020
  
  b3a99f31
- avoid illegal read after delete · 14957187
  Axel Kohlmeyer authored Jun 14, 2020
  
  14957187
- use std::string.empty() instead of comparing to "" · 2f5587da
  Axel Kohlmeyer authored Jun 14, 2020
  
  2f5587da
- fix delete[] vs. free() issue with pair styles eam/fs, eam/alloy, eim · 2a25fe16
  Axel Kohlmeyer authored Jun 14, 2020
  
  2a25fe16
- update some test yaml files · 7d9e0076
  Axel Kohlmeyer authored Jun 14, 2020
  
  7d9e0076
- make subheaders and typesetting more consistent · 5abfcde3
  Axel Kohlmeyer authored Jun 14, 2020
  
  5abfcde3
- enable full c++11 in colvars, same as LAMMPS · 4042b836
  Axel Kohlmeyer authored Jun 14, 2020
  
  4042b836
Jun 14, 2020
- update false positives · b587500b
  Axel Kohlmeyer authored Jun 14, 2020
  
  b587500b
- import updates to the manual from the progguide branch · 083fe85b
  Axel Kohlmeyer authored Jun 14, 2020
  
  083fe85b
- Merge branch 'small-typo' of github.com:aatxutegi/lammps into collected-small-changes · 21e34c5c
  Axel Kohlmeyer authored Jun 14, 2020
  
  21e34c5c
- Small type at the Z rotation matrix member · 03bf678e
  aatxutegi authored Jun 14, 2020
  
  03bf678e
- update contributing guidelines to mention creating unit tests and regression... · 7077db7e
  Axel Kohlmeyer authored Jun 14, 2020
  7077db7e
- small CMake tweaks from progguide branch · 9b0213f1
  Axel Kohlmeyer authored Jun 13, 2020
  
  9b0213f1
Jun 13, 2020
- whitespace fix · daae6ea9
  Axel Kohlmeyer authored Jun 13, 2020
  
  daae6ea9
- implement method to pass command line flags to test programs when run through ctest · 87390675
  Axel Kohlmeyer authored Jun 13, 2020
  87390675
- add unittest for ErrorStats class · 0e708469
  Axel Kohlmeyer authored Jun 13, 2020
  
  0e708469
- rather than forcing tcp communication for OpenMPI, we disable infiniband... · e0062866
  Axel Kohlmeyer authored Jun 12, 2020
  e0062866
- whitespace fixes · 00ebbb31
  Axel Kohlmeyer authored Jun 12, 2020
  
  00ebbb31
- must use fabs() instead of abs() on floating point values. update cauchystat example logs · 8d5452d6
  Axel Kohlmeyer authored Jun 12, 2020
  
  8d5452d6
- require at least python 3.5 for building docs and import CMake improvements from progguide branch · ec6d3586
  Axel Kohlmeyer authored Jun 13, 2020
  
  ec6d3586
- Merge pull request #2152 from stanmoore1/kk_snap_mem · d84b4a3f
  Axel Kohlmeyer authored Jun 12, 2020
  d84b4a3f
- Remove unnecessary allocation · 49556edd
  Stan Moore authored Jun 12, 2020
  
  49556edd
Jun 12, 2020
- Merge pull request #2149 from jtclemm/sort-atom-callbacks · 0c23fcae
  Axel Kohlmeyer authored Jun 12, 2020
  0c23fcae
- Merge pull request #2139 from akohlmey/fetch-potentials · cf359ded
  Axel Kohlmeyer authored Jun 12, 2020
  cf359ded
- Merge pull request #2151 from akohlmey/move-ubuf-to-lmptype · 22ed1756
  Axel Kohlmeyer authored Jun 12, 2020
  22ed1756
- Merge pull request #2144 from rbberger/tokenizer-performance-fixes · 5f86bac4
  Axel Kohlmeyer authored Jun 12, 2020
  5f86bac4
- add a few more unit tests for functions in utils · 3c99471d
  Axel Kohlmeyer authored Jun 12, 2020
  
  3c99471d
- Merge branch 'master' into tokenizer-performance-fixes · 8c470b9e
  Axel Kohlmeyer authored Jun 12, 2020
  
  8c470b9e
- fix spelling · 6b783d31
  Axel Kohlmeyer authored Jun 11, 2020
  
  6b783d31
- fix format (again) · 219a3e4c
  Axel Kohlmeyer authored Jun 11, 2020
  
  219a3e4c
- Merge branch 'reset-ids-sort' into move-ubuf-to-lmptype · bb144f0d
  Axel Kohlmeyer authored Jun 11, 2020
  bb144f0d
- whitespace/format fixes · 965ec37e
  Axel Kohlmeyer authored Jun 11, 2020
  
  965ec37e
- use compile time tests instead of runtime checks for skipping 64bit tests on 32bit integers · 1e8ef99f
  Axel Kohlmeyer authored Jun 11, 2020
  
  1e8ef99f
- silence compiler warnings · 9ca0d01a
  Axel Kohlmeyer authored Jun 11, 2020
  
  9ca0d01a
- remove trailing whitespace · a8c1ce98
  Axel Kohlmeyer authored Jun 11, 2020
  
  a8c1ce98
- have a single union ubuf definition in lmptype.h and remove others · 62742343
  Axel Kohlmeyer authored Jun 11, 2020
  
  62742343

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