Commits · f2276667ba6a4e11138b29116b684f4c28689f77 · tsoc / openmm

24 May, 2013 3 commits
- Merge branch 'master' of https://github.com/SimTk/openmm · f2276667
  Yutong Zhao authored May 23, 2013
  
  f2276667
- nonbonded.cu will now use shuffles on sm_30 or higher · ec39f6ff
  Yutong Zhao authored May 23, 2013
  
  ec39f6ff
- Merge pull request #6 from peastman/master · 7521da4a
  Yutong Zhao authored May 23, 2013
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Fixed linker errors on Windows
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  7521da4a
23 May, 2013 3 commits
- Fixed linker errors on Windows · c5ea0cd1
  Peter Eastman authored May 23, 2013
  
  c5ea0cd1
- Merge pull request #5 from peastman/master · ebe2ad9b
  Yutong Zhao authored May 22, 2013
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Fixes to a couple of bugs (in CustomIntegrator and DrudeLangevinIntegrator)
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  ebe2ad9b
- Created DrudeSCFIntegrator, including reference implementation · 7cbb8a01
  peastman authored May 22, 2013
  
  7cbb8a01
22 May, 2013 4 commits
- Fixed errors in DrudeLangevinIntegrator in mixed or double precision mode · 6a7e5591
  peastman authored May 22, 2013
  
  6a7e5591
- Fixed bug in CustomIntegrator's handling of massless particles (see bug 1871) · f44890a4
  peastman authored May 22, 2013
  
  f44890a4
- first working version with shuffle - but breaks lots of existing tests · 44665537
  Yutong Zhao authored May 21, 2013
  
  44665537
- Merge pull request #4 from peastman/master · 0faa4852
  Yutong Zhao authored May 21, 2013
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Most of the features to support Drude particles are now complete and functional
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  0faa4852
21 May, 2013 4 commits
- ForceField supports DrudeForce · c5ad2202
  peastman authored May 21, 2013
  
  c5ad2202
- Implemented serialization for Drude plugin · 6185317a
  peastman authored May 21, 2013
  
  6185317a
- Added links into README.md for API references · 5c99a8f2
  Yutong Zhao authored May 20, 2013
  
  5c99a8f2
- Merge pull request #3 from kyleabeauchamp/readme_md · 3258ba27
  Yutong Zhao authored May 20, 2013
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Readme md
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  3258ba27
20 May, 2013 5 commits
- Added README.md · 9b88efaa
  Kyle Beauchamp authored May 20, 2013
  
  9b88efaa
- Added README.md · d10293c2
  Kyle Beauchamp authored May 20, 2013
  
  d10293c2
- Implemented Modeller.addExtraParticles(). Also some cleanup in ForceField. · 6f98dd5f
  peastman authored May 20, 2013
  
  6f98dd5f
- Merge pull request #1 from proteneer/master · 7644bc07
  Yutong Zhao authored May 20, 2013
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Remove SVN specific info from CMakeLists
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  7644bc07
- Updated CMakeLists to deprecate svn info · faf5e0fe
  Yutong Zhao authored May 20, 2013
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Since we migrated to github, most of the svn-specific information is now deprecated.
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  faf5e0fe
17 May, 2013 3 commits
- Fixed compilation error on Windows · 832e336c
  Peter Eastman authored May 17, 2013
  
  832e336c
- Created Python wrapper for Drude plugin · a9f16906
  Peter Eastman authored May 17, 2013
  
  a9f16906
- Fixed incorrect Windows export · c25b90c0
  Peter Eastman authored May 17, 2013
  
  c25b90c0
16 May, 2013 3 commits
- Added documentation for the GPU nonbonded algorithm. · aa6abbbe
  Yutong Zhao authored May 16, 2013
  
  aa6abbbe
- Added documentation regarding how we construct neighborlists. · dd1ae5c1
  Yutong Zhao authored May 16, 2013
  
  dd1ae5c1
- Created OpenCL implementation of DrudeForce and DrudeLangevinIntegrator · f8c98f32
  Peter Eastman authored May 16, 2013
  
  f8c98f32
15 May, 2013 3 commits
- Created CUDA implementation of DrudeForce and DrudeLangevinIntegrator · 09a8475d
  Peter Eastman authored May 15, 2013
  
  09a8475d
- Bug fixes to reference implementation of DrudeLangevinIntegrator · c7711f74
  Peter Eastman authored May 15, 2013
  
  c7711f74
- Added division operator to Vec3 and RealVec · a175aeba
  Peter Eastman authored May 15, 2013
  
  a175aeba
14 May, 2013 3 commits
- Fixes a race-condition in compute Range · 65caf22b
  Yutong Zhao authored May 14, 2013
  
  65caf22b
- Began implementing Drude plugin · 31d761d5
  Peter Eastman authored May 14, 2013
  
  31d761d5
- Cleaned up reference API for constraints · 6fabca14
  Peter Eastman authored May 14, 2013
  
  6fabca14
09 May, 2013 1 commit
- Fixed typo in method name · ae847dd7
  Peter Eastman authored May 09, 2013
  
  ae847dd7
08 May, 2013 2 commits
- Very minor code simplification · 039bb3fb
  Peter Eastman authored May 08, 2013
  
  039bb3fb
- Removed lots of units code from AMBER file loader, which made it unnecessarily slow · 70ff98db
  Peter Eastman authored May 08, 2013
  
  70ff98db
07 May, 2013 3 commits
- Added descriptions of new features in NonbondedForce and CustomNonbondedForce... · 073e1a76
  Peter Eastman authored May 07, 2013
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Added descriptions of new features in NonbondedForce and CustomNonbondedForce (switching function, long range correction) to the manual.
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  073e1a76
- Fixed compilation error on Windows · b35b0d5a
  Peter Eastman authored May 07, 2013
  
  b35b0d5a
- Long range correction for both NonbondedForce and CustomNonbondedForce takes... · 31b85dfa
  Peter Eastman authored May 07, 2013
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Long range correction for both NonbondedForce and CustomNonbondedForce takes the switching function into account
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  31b85dfa
06 May, 2013 3 commits
- Implemented switching function for CustomNonbondedForce · 44d812e6
  Peter Eastman authored May 06, 2013
  
  44d812e6
- Implemented Lennard-Jones switching function for CUDA and OpenCL · 9385f81f
  Peter Eastman authored May 06, 2013
  
  9385f81f
- Fixed compilation error on Windows · 34ca75d9
  Peter Eastman authored May 06, 2013
  
  34ca75d9