Commits · a549752764a34219f6e07232a886c227d1a6b285 · argo / Applications / LAMMPS

02 Oct, 2018 14 commits
- reduce compiler warnings and some more whitespace adjustments · a5497527
  Axel Kohlmeyer authored Oct 02, 2018
  
  a5497527
- convert more system headers to c++ style · 590ab166
  Axel Kohlmeyer authored Oct 02, 2018
  
  590ab166
- Apply uniform LAMMPS formatting · 08b135ce
  ckadding authored Oct 02, 2018
  
  08b135ce
- Use MathConst namespace · a6ba5508
  ckadding authored Oct 02, 2018
  
  a6ba5508
- remove trailing whitespace · e3b80e73
  Axel Kohlmeyer authored Oct 02, 2018
  
  e3b80e73
- ensure, that we have no division by zero and add an upper limit for bins · ff7449b2
  Axel Kohlmeyer authored Oct 02, 2018
  
  ff7449b2
- integrate compute pressure/cylinder into build and README · 13d3903e
  Axel Kohlmeyer authored Oct 02, 2018
  
  13d3903e
- reformat compute pressure/cylinder docs and integrate it into the manual · f81836d6
  Axel Kohlmeyer authored Oct 02, 2018
  
  f81836d6
- Insert a comma · c7c0defa
  ckadding authored Oct 02, 2018
  
  c7c0defa
- Update compute_pressure_cylinder.cpp · ac658a17
  ckadding authored Oct 02, 2018
  
  ac658a17
- Clarify restrictions and output · 69c3ff56
  ckadding authored Oct 02, 2018
  
  69c3ff56
- Add NULL pointers to constructor init · af5ac6bc
  ckadding authored Oct 02, 2018
  
  af5ac6bc
- Add input validation · 89c06558
  ckadding authored Oct 02, 2018
  
  89c06558
- Modifying headers · 3a0cfc1d
  ckadding authored Oct 02, 2018
  
  3a0cfc1d
20 Sep, 2018 2 commits
- Add compute_pressure_cylinder documentation · dd39bc44
  ckadding authored Sep 20, 2018
  
  dd39bc44
- Add compute_pressure_cylinder .cpp and .h files · 5aeba421
  ckadding authored Sep 20, 2018
  
  5aeba421
18 Sep, 2018 6 commits
- Merge pull request #1126 from lammps/patch-18-sep-2018 · c2758a0b
  Axel Kohlmeyer authored Sep 18, 2018
```
patch 18Sep18
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  c2758a0b
- Merge pull request #1127 from akohlmey/reax-bonds-typo · 9c58834a
  Axel Kohlmeyer authored Sep 18, 2018
```
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 Sep 18, 2018
  
  4bfac61b
- patch 18Sep18 · 8dff5fd5
  Axel Kohlmeyer authored Sep 18, 2018
  
  8dff5fd5
- Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows · e9ed95c2
  Axel Kohlmeyer authored Sep 18, 2018
```
Avoid more buffer overflows due to using snprintf() on fixed size buffers
```
  e9ed95c2
- Merge pull request #1125 from athomps/sna-atom-leakfix · 33e33048
  Axel Kohlmeyer authored Sep 18, 2018
```
The sna*/atom computes were not destroying SNA objects. Fixed.
```
  33e33048
17 Sep, 2018 7 commits
- The sna*/atom computes were not destroying SNA objects. Fixed. · d753c51c
  Aidan Thompson authored Sep 17, 2018
  
  d753c51c
- Merge pull request #1119 from lammps/doc-clarify · e2293cc7
  Axel Kohlmeyer authored Sep 17, 2018
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doc page clarifications
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  e2293cc7
- Merge pull request #1092 from RomainVermorel/master · 0c287a55
  Axel Kohlmeyer authored Sep 17, 2018
```
New stress/mop and stress/mop/profile computes for USER-MISC 
```
  0c287a55
- fix typo · 5f6b5c54
  Axel Kohlmeyer authored Sep 17, 2018
  
  5f6b5c54
- fix typo · 494b1492
  Axel Kohlmeyer authored Sep 17, 2018
  
  494b1492
- fix typo · 39ee7876
  Axel Kohlmeyer authored Sep 17, 2018
  
  39ee7876
- fix typo · 8fa80081
  Axel Kohlmeyer authored Sep 17, 2018
  
  8fa80081
14 Sep, 2018 1 commit
- doc link adjustments · e14db00d
  Steve Plimpton authored Sep 14, 2018
  
  e14db00d
11 Sep, 2018 6 commits
- Merge pull request #1089 from lammps/spread · 6ae4bdea
  Richard Berger authored Sep 11, 2018
```
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 Sep 11, 2018
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bond/react: efficient competing reactions
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  1f5885fc
- Merge pull request #1097 from lammps/localvars · 92b508f1
  Richard Berger authored Sep 11, 2018
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add variable option to compute bond/angle/dihedral local
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  92b508f1
- typo in fix relax/box doc page · c3ece2f0
  Steve Plimpton authored Sep 11, 2018
  
  c3ece2f0
- cite a good book on SLLOD thermostatting for molecular systems · 7f328d3f
  Steve Plimpton authored Sep 11, 2018
  
  7f328d3f
- doc page clarifications · 983e8bb1
  Steve Plimpton authored Sep 11, 2018
  
  983e8bb1
10 Sep, 2018 4 commits
- make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero · 0305cca1
  Axel Kohlmeyer authored Sep 10, 2018
  
  0305cca1
- avoid class initialization order warnings · 3d2c7317
  Axel Kohlmeyer authored Sep 10, 2018
  
  3d2c7317
- correct end of itemized list to be compatible with txt2rst conversion · 02b653c0
  Axel Kohlmeyer authored Sep 10, 2018
  
  02b653c0
- Merge pull request #1112 from akohlmey/rename-cdeam-omp · a33f45f1
  Axel Kohlmeyer authored Sep 10, 2018
```
Rename files for pair style eam/cd/omp in USER-OMP
```
  a33f45f1