Commits · a395be3088a74c23cf85fa482681a27d57d2e56b · tsoc / openmm

09 Oct, 2016 1 commit
- Remove openmm-dev conda badge and update openmm anaconda badge · a395be30
  John Chodera (MSKCC) authored Oct 09, 2016
  
  a395be30
06 Oct, 2016 4 commits
- Merge pull request #1615 from peastman/docsversion · 69d5e8b8
  peastman authored Oct 06, 2016
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Updated manual to specify CUDA 8.0
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  69d5e8b8
- Updated manual to specify CUDA 8.0 · 3654b788
  Peter Eastman authored Oct 06, 2016
  
  3654b788
- Merge pull request #1614 from peastman/version · a32a117a
  peastman authored Oct 06, 2016
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Updated version number to 7.1
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  a32a117a
- Updated version number to 7.1 · 4b97a9cb
  Peter Eastman authored Oct 06, 2016
  
  4b97a9cb
05 Oct, 2016 4 commits
- Merge pull request #1605 from peastman/hbondbug · d07c0c02
  peastman authored Oct 05, 2016
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Bug fixes to building CustomHbondForce
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  d07c0c02
- Merge pull request #1608 from kyleabeauchamp/intser · 67fc6658
  peastman authored Oct 05, 2016
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Add support for customIntegrator serialization and test
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  67fc6658
- Fix indent · 171f3a26
  Kyle Beauchamp authored Oct 04, 2016
  
  171f3a26
- Add workaround for xml alphabetization issue, print exceptions in TestSerializeIntegrator · 299e5896
  Kyle Beauchamp authored Oct 04, 2016
  
  299e5896
04 Oct, 2016 2 commits
- Edit global compute · 0dd0795d
  Kyle Beauchamp authored Oct 03, 2016
  
  0dd0795d
- Add support for customIntegrator serialization and test · 3c2a3b1f
  Kyle Beauchamp authored Oct 03, 2016
  
  3c2a3b1f
30 Sep, 2016 1 commit
- Bug fixes to building CustomHbondForce · 53b6ea1b
  peastman authored Sep 30, 2016
  
  53b6ea1b
27 Sep, 2016 3 commits
- Merge pull request #1603 from peastman/unknownglobal · c2166480
  peastman authored Sep 27, 2016
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CustomIntegrator checks for writing to an unknown variable
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  c2166480
- CustomIntegrator checks for writing to an unknown variable · b44ff2fd
  Peter Eastman authored Sep 27, 2016
  
  b44ff2fd
- Merge pull request #1601 from peastman/compoundstatechanged · 6cf592be
  peastman authored Sep 27, 2016
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CompoundIntegrator::stateChanged() calls through to component integrators
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  6cf592be
26 Sep, 2016 5 commits
- CompoundIntegrator::stateChanged() calls through to component integrators · 222460ef
  peastman authored Sep 26, 2016
  
  222460ef
- Merge pull request #1600 from peastman/customdt · 283e97b2
  peastman authored Sep 26, 2016
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Fixed error when CustomIntegrator modifies step size
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  283e97b2
- Merge pull request #1593 from peastman/hbond · 690f5c23
  peastman authored Sep 26, 2016
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ForceField supports CustomHbondForce
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  690f5c23
- Fixed mistake in test case · 1de311c9
  Peter Eastman authored Sep 26, 2016
  
  1de311c9
- Fixed error when CustomIntegrator modifies step size · 9908d249
  Peter Eastman authored Sep 26, 2016
  
  9908d249
23 Sep, 2016 3 commits
- Merge pull request #1596 from peastman/barostatperiodic · 985d927a
  peastman authored Sep 23, 2016
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Throw an exception if a barostat is used with a non-periodic system
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  985d927a
- Throw an exception if a barostat is used with a non-periodic system · dd140429
  peastman authored Sep 23, 2016
  
  dd140429
- Merge pull request #1594 from peastman/friction · 6707ca5c
  peastman authored Sep 23, 2016
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Fixed friction coefficient in explicit solvent benchmarks
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  6707ca5c
22 Sep, 2016 6 commits
- Fixed friction coefficient in explicit solvent benchmarks · 73a841a1
  Peter Eastman authored Sep 22, 2016
  
  73a841a1
- ForceField supports CustomHbondForce · e17a4dd8
  peastman authored Sep 22, 2016
  
  e17a4dd8
- Merge pull request #1592 from peastman/nan · 9a0fcf72
  peastman authored Sep 22, 2016
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Fixed a potential nan
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  9a0fcf72
- Merge pull request #1591 from peastman/statechanged · 786bc04f
  peastman authored Sep 22, 2016
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updateParametersInContext() causes stateChanged() to be called
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  786bc04f
- Fixed incorrect bound · a3f22ab9
  Peter Eastman authored Sep 22, 2016
  
  a3f22ab9
- Fixed a potential nan · f75c5ee6
  Peter Eastman authored Sep 22, 2016
  
  f75c5ee6
21 Sep, 2016 1 commit
- updateParametersInContext() causes stateChanged() to be called · 599a2cda
  peastman authored Sep 21, 2016
  
  599a2cda
14 Sep, 2016 1 commit
- Merge pull request #1584 from wesbarnett/master · f7935fef
  peastman authored Sep 14, 2016
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support DESTDIR in PythonInstall
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  f7935fef
13 Sep, 2016 1 commit
- Merge pull request #1587 from peastman/opt · f93e230f
  peastman authored Sep 13, 2016
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Very minor optimizations
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  f93e230f
12 Sep, 2016 2 commits
- Minor optimizations · 5ab3c394
  Peter Eastman authored Sep 12, 2016
  
  5ab3c394
- Merge pull request #1579 from peastman/cleanup · 10b51d25
  peastman authored Sep 12, 2016
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Minor code cleanup
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  10b51d25
08 Sep, 2016 3 commits
- only DESTDIR makes sense for --root · 0ae80fdc
  James W. Barnett authored Sep 08, 2016
  
  0ae80fdc
- support DESTDIR and CMAKE_INSTALL_PREFIX in PythonInstall · 90d90b2d
  James W. Barnett authored Sep 08, 2016
  
  90d90b2d
- Merge pull request #1583 from peastman/amoebapme · 9e34d39e
  peastman authored Sep 08, 2016
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Optimizations to AMOEBA PME
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  9e34d39e
07 Sep, 2016 3 commits
- Optimizations to AMOEBA PME · 47fe6d40
  Peter Eastman authored Sep 07, 2016
  
  47fe6d40
- Merge pull request #1582 from peastman/diisopt · e38c6907
  peastman authored Sep 07, 2016
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Optimizations to DIIS
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  e38c6907
- Optimizations to DIIS · 319018ed
  Peter Eastman authored Sep 07, 2016
  
  319018ed