Commits · e3b80e734a5e77c25d5a185460a4b4544fdced4d · multiscale / lammps

Oct 02, 2018
- remove trailing whitespace · e3b80e73
  Axel Kohlmeyer authored 6 years ago
  
  e3b80e73
- ensure, that we have no division by zero and add an upper limit for bins · ff7449b2
  Axel Kohlmeyer authored 6 years ago
  
  ff7449b2
- integrate compute pressure/cylinder into build and README · 13d3903e
  Axel Kohlmeyer authored 6 years ago
  
  13d3903e
- reformat compute pressure/cylinder docs and integrate it into the manual · f81836d6
  Axel Kohlmeyer authored 6 years ago
  
  f81836d6
- Insert a comma · c7c0defa
  ckadding authored 6 years ago
  
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  c7c0defa
- Update compute_pressure_cylinder.cpp · ac658a17
  ckadding authored 6 years ago
  
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  ac658a17
- Clarify restrictions and output · 69c3ff56
  ckadding authored 6 years ago
  
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  69c3ff56
- Add NULL pointers to constructor init · af5ac6bc
  ckadding authored 6 years ago
  
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  af5ac6bc
- Add input validation · 89c06558
  ckadding authored 6 years ago
  
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  89c06558
- Modifying headers · 3a0cfc1d
  ckadding authored 6 years ago
  
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  3a0cfc1d
Sep 20, 2018
- Add compute_pressure_cylinder documentation · dd39bc44
  ckadding authored 6 years ago
  
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  dd39bc44
- Add compute_pressure_cylinder .cpp and .h files · 5aeba421
  ckadding authored 6 years ago
  
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  5aeba421
Sep 19, 2018
- Merge pull request #1126 from lammps/patch-18-sep-2018 · c2758a0b
  Axel Kohlmeyer authored 6 years ago
  
  patch 18Sep18
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  c2758a0b
Sep 18, 2018
- Merge pull request #1127 from akohlmey/reax-bonds-typo · 9c58834a
  Axel Kohlmeyer authored 6 years ago
  
  fix typo in gzip support for fix reax/bonds
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  9c58834a
- fix typo in gzip support for fix reax/bonds · 4bfac61b
  Axel Kohlmeyer authored 6 years ago
  
  4bfac61b
- patch 18Sep18 · 8dff5fd5
  Axel Kohlmeyer authored 6 years ago
  
  8dff5fd5
- Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows · e9ed95c2
  Axel Kohlmeyer authored 6 years ago
  
  Avoid more buffer overflows due to using snprintf() on fixed size buffers
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  e9ed95c2
- Merge pull request #1125 from athomps/sna-atom-leakfix · 33e33048
  Axel Kohlmeyer authored 6 years ago
  
  The sna*/atom computes were not destroying SNA objects. Fixed.
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  33e33048
- The sna*/atom computes were not destroying SNA objects. Fixed. · d753c51c
  Aidan Thompson authored 6 years ago
  
  d753c51c
Sep 17, 2018
- Merge pull request #1119 from lammps/doc-clarify · e2293cc7
  Axel Kohlmeyer authored 6 years ago
  
  doc page clarifications
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  e2293cc7
- Merge pull request #1092 from RomainVermorel/master · 0c287a55
  Axel Kohlmeyer authored 6 years ago
  
  New stress/mop and stress/mop/profile computes for USER-MISC
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  0c287a55
- fix typo · 5f6b5c54
  Axel Kohlmeyer authored 6 years ago
  
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  5f6b5c54
- fix typo · 494b1492
  Axel Kohlmeyer authored 6 years ago
  
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  494b1492
- fix typo · 39ee7876
  Axel Kohlmeyer authored 6 years ago
  
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  39ee7876
- fix typo · 8fa80081
  Axel Kohlmeyer authored 6 years ago
  
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  8fa80081
Sep 15, 2018
- doc link adjustments · e14db00d
  Steve Plimpton authored 6 years ago
  
  e14db00d
Sep 12, 2018
- Merge pull request #1089 from lammps/spread · 6ae4bdea
  Richard Berger authored 6 years ago
  
  2 new computes: chunk/spread/atom and reduce/chunk
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  6ae4bdea
- Merge pull request #1099 from jrgissing/bond/react-efficient-competing_reactions · 1f5885fc
  Richard Berger authored 6 years ago
  
  bond/react: efficient competing reactions
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  1f5885fc
- Merge pull request #1097 from lammps/localvars · 92b508f1
  Richard Berger authored 6 years ago
  
  add variable option to compute bond/angle/dihedral local
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  92b508f1
Sep 11, 2018
- typo in fix relax/box doc page · c3ece2f0
  Steve Plimpton authored 6 years ago
  
  c3ece2f0
- cite a good book on SLLOD thermostatting for molecular systems · 7f328d3f
  Steve Plimpton authored 6 years ago
  
  7f328d3f
- doc page clarifications · 983e8bb1
  Steve Plimpton authored 6 years ago
  
  983e8bb1
- make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero · 0305cca1
  Axel Kohlmeyer authored 6 years ago
  
  0305cca1
- avoid class initialization order warnings · 3d2c7317
  Axel Kohlmeyer authored 6 years ago
  
  3d2c7317
- correct end of itemized list to be compatible with txt2rst conversion · 02b653c0
  Axel Kohlmeyer authored 6 years ago
  
  02b653c0
Sep 10, 2018
- Merge pull request #1112 from akohlmey/rename-cdeam-omp · a33f45f1
  Axel Kohlmeyer authored 6 years ago
  
  Rename files for pair style eam/cd/omp in USER-OMP
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  a33f45f1
- Merge pull request #1114 from junghans/cmake_eigen3 · a903e649
  Richard Berger authored 6 years ago
  
  cmake: fix Eigen3 detection
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  a903e649
- cmake: use NO_MODULE for Eigen3 · 46b87518
  Richard Berger authored 6 years ago
  
  46b87518
- Merge pull request #1115 from junghans/cmake_globfix · 45682f86
  Richard Berger authored 6 years ago
  
  cmake: fix globbing of emacs files
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  45682f86
Sep 09, 2018
- Merge pull request #1105 from rbberger/truncate-file-path · 2faa34b2
  Axel Kohlmeyer authored 6 years ago
  
  Avoid buffer overflow during errors with long filenames
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  2faa34b2