Commits · e7cb2f4cac322dab15222ab91f89ed3d35e5634e · 郑智淋 / lammps · GitLab

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Oct 21, 2019
- 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
- resolve unused parameter warnings in USER-ATC package · b7055257
  Axel Kohlmeyer authored Oct 20, 2019
  
  b7055257
Oct 20, 2019
- 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
- fix off-by-one errors in ndx_group · e057ae18
  Axel Kohlmeyer authored Oct 18, 2019
  
  e057ae18
Oct 18, 2019
- 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
- formatting and reduce compiler warnings · 5b47b0b0
  Axel Kohlmeyer authored Oct 18, 2019
  
  5b47b0b0
- reduce compiler warnings · f0a3628a
  Axel Kohlmeyer authored Oct 18, 2019
  
  f0a3628a
- refactoring of SPIN pair class initialization to increase code reuse · dee63187
  Axel Kohlmeyer authored Oct 18, 2019
  
  dee63187
- allow regexp matches for Modify::find_fix_by_style() and consolidate usage of searching for fixes · dcb1b650
  Axel Kohlmeyer authored Oct 18, 2019
  
  dcb1b650
- have sphinx configuration switch math formula renderer for epub · bb21847f
  Axel Kohlmeyer authored Oct 18, 2019
  bb21847f
- fix some more fgets() related warnings in pair style airebo · 24b54026
  Axel Kohlmeyer authored Oct 18, 2019
  
  24b54026
- Merge pull request #62 from giacomofiorin/fix-compiler-warnings · d9d22658
  Axel Kohlmeyer authored Oct 18, 2019
  d9d22658
- Print parsed compiler flags, some cosmetic changes for added consistency · 693e34b5
  Giacomo Fiorin authored Oct 17, 2019
  
  693e34b5
- Enable COLVARS_LEPTON for make, update build doc for USER-COLVARS · c578e4e7
  Giacomo Fiorin authored Oct 17, 2019
  
  c578e4e7
Oct 17, 2019
- step version number, year, and changelog to reflect fixed bug. · 27d3d442
  Axel Kohlmeyer authored Oct 17, 2019
  
  27d3d442
- fix segfault in atom map hash when using "clear". · 595aa7df
  Axel Kohlmeyer authored Oct 17, 2019
  
  595aa7df
- we need int64_t for both LAMMPS_BIGBIG and LAMMPS_SMALLBIG · 09c15ee6
  Axel Kohlmeyer authored Oct 17, 2019
  
  09c15ee6
- USER-MOLFILE cannot be configured with CMake 2.8.12, requiring 3.10. · 108b9a0a
  Axel Kohlmeyer authored Oct 17, 2019
  
  108b9a0a
- need to enable C compilation to detect BLAS/LAPACK on CMake 2.8.12 · 9a4f208e
  Axel Kohlmeyer authored Oct 17, 2019
  
  9a4f208e
- Merge branch 'master' into fix-compiler-warnings · 68adc56e
  Axel Kohlmeyer authored Oct 17, 2019
  
  68adc56e
- document COLVARS_LEPTON flag to CMake configuration · e4c77f04
  Axel Kohlmeyer authored Oct 16, 2019
  
  e4c77f04
- Merge pull request #1726 from akohlmey/singularity · 4e6f83ce
  Axel Kohlmeyer authored Oct 16, 2019
  4e6f83ce
- Merge pull request #1724 from lammps/lepton-cxx11-handling · 437c0e59
  Axel Kohlmeyer authored Oct 16, 2019
  437c0e59

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