Commits · 8ab5b90736e4e44de72a58300923301e4d309997 · tsoc / openmm

23 Sep, 2014 3 commits
- revert change to other function · 8ab5b907
  Robert McGibbon authored Sep 22, 2014
  
  8ab5b907
- Fix to compile · 1b245565
  Robert McGibbon authored Sep 22, 2014
  
  1b245565
- Add by-name getters to CustomIntegrator API · a162c89e
  Robert McGibbon authored Sep 22, 2014
  
  a162c89e
18 Sep, 2014 2 commits
- Merge pull request #623 from peastman/master · fb95c56c
  peastman authored Sep 18, 2014
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Set cutoff correctly for CHARMM polarizable force field
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  fb95c56c
- Set cutoff correctly for CHARMM polarizable force field · b6fcfbd5
  peastman authored Sep 18, 2014
  
  b6fcfbd5
17 Sep, 2014 11 commits
- Merge pull request #621 from swails/charmmparameter_fix · b1625264
  peastman authored Sep 17, 2014
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Fix issue where the last CMAP defined in a parameter file is not added to the parameter set.
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  b1625264
- Fix comments. · 94ac0e3c
  Jason Swails authored Sep 17, 2014
  
  94ac0e3c
- Fix issue where the last CMAP defined in a parameter file is not added to the · 400b2a24
  Jason Swails authored Sep 17, 2014
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parameter set.
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  400b2a24
- Merge pull request #620 from peastman/master · 2a06c7be
  peastman authored Sep 17, 2014
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AMOEBA uses fast approximation for erfc()
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  2a06c7be
- AMOEBA uses fast approximation for erfc() · 3bc2ba5b
  peastman authored Sep 17, 2014
  
  3bc2ba5b
- Merge pull request #619 from schwancr/patch-1 · 3e7860e1
  peastman authored Sep 17, 2014
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Update AmoebaMultipoleForceImpl.cpp
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  3e7860e1
- Update AmoebaReferenceKernels.h · b9b55b04
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  b9b55b04
- Update amoebaKernels.h · bad2b091
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  bad2b091
- Update AmoebaMultipoleForce.h · c4dbd03e
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  c4dbd03e
- Update AmoebaMultipoleForce.cpp · e03fe920
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  e03fe920
- Update AmoebaMultipoleForceImpl.h · abe3e901
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  abe3e901
16 Sep, 2014 1 commit
- Update AmoebaMultipoleForceImpl.cpp · 9e4b043f
  Christian Schwantes authored Sep 16, 2014
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@rmcgibbo and @mpharrigan convinced me I should have just fixed it myself.
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  9e4b043f
15 Sep, 2014 1 commit
- Merge pull request #617 from Omegaice/master · af55cd27
  peastman authored Sep 15, 2014
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Updated code to obey BUILD_TESTING to allow for disabling of test compilation
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  af55cd27
14 Sep, 2014 1 commit
- Updated code to obey BUILD_TESTING to allow for disabling of test compilation · 1e67b2ef
  James Sweet authored Sep 14, 2014
  
  1e67b2ef
11 Sep, 2014 5 commits
- Merge pull request #615 from peastman/master · db674874
  peastman authored Sep 11, 2014
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Switched to a slightly faster (and more accurate) approximation for erfc()
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  db674874
- Reversed a change that didn't help · 3e47d824
  peastman authored Sep 11, 2014
  
  3e47d824
- Switched to a slightly faster (and more accurate) approximation for erfc() · 4b5b08af
  peastman authored Sep 11, 2014
  
  4b5b08af
- Merge pull request #614 from peastman/master · e96caceb
  peastman authored Sep 11, 2014
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Fixed a compilation error in double precision mode
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  e96caceb
- Fixed a compilation error in double precision mode · d7620eff
  peastman authored Sep 11, 2014
  
  d7620eff
10 Sep, 2014 3 commits
- Merge pull request #611 from peastman/master · 591556f1
  peastman authored Sep 10, 2014
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Prevent nan in CPU platform when two excluded particles are exactly on top of each other
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  591556f1
- Prevent nan in CPU platform when two excluded particles are exactly on top of each other · 4c19a401
  peastman authored Sep 10, 2014
  
  4c19a401
- Merge pull request #609 from peastman/nb · 80be998e
  peastman authored Sep 09, 2014
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Rewrote the neighbor list generation kernel to be simpler and (slightly) faster
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  80be998e
09 Sep, 2014 7 commits
- Cleaned up obsolete code · 68984320
  peastman authored Sep 09, 2014
  
  68984320
- Fixed bug on Intel GPUs · 3031c4da
  peastman authored Sep 09, 2014
  
  3031c4da
- Improved performance of building neighbor list on AMD GPUs · ae466134
  peastman authored Sep 09, 2014
  
  ae466134
- Bug fixes · f9fbe12a
  peastman authored Sep 09, 2014
  
  f9fbe12a
- Ported the new version of findBlocksWithInteractions() to OpenCL (not yet debugged) · 70bd61a6
  peastman authored Sep 09, 2014
  
  70bd61a6
- Merge pull request #608 from peastman/master · f9e24fea
  peastman authored Sep 08, 2014
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Fixed bug in CustomManyParticleForce that caused crash
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  f9e24fea
- Fixed bug in CustomManyParticleForce that caused crash · 904a9c10
  peastman authored Sep 08, 2014
  
  904a9c10
08 Sep, 2014 3 commits
- Merge pull request #607 from peastman/master · a27f396f
  peastman authored Sep 08, 2014
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Bug fix to addExtraParticles()
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  a27f396f
- Bug fix to addExtraParticles() · d8be3efd
  peastman authored Sep 08, 2014
  
  d8be3efd
- Rewrote findBlocksWithInteractions() in a way that is both faster and simpler. · bfeb8ac7
  peastman authored Sep 08, 2014
  
  bfeb8ac7
05 Sep, 2014 3 commits
- Merge pull request #605 from peastman/master · 8616b69c
  peastman authored Sep 05, 2014
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Added a missing return statement
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  8616b69c
- Added a missing return statement · 4c815965
  peastman authored Sep 05, 2014
  
  4c815965
- Merge pull request #604 from peastman/many · 604881dc
  peastman authored Sep 05, 2014
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Created CustomManyParticleForce
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  604881dc