Commits · 7dd882ebe0039768ba65404f28549a9d78b41491 · tsoc / openmm

"platforms/opencl/src/OpenCLParameterSet.h" did not exist on "099b8e55d6548b4199d7ab82b08325317dfb7e5b"

20 Aug, 2013 1 commit
- Merge pull request #114 from rmcgibbo/modeller-context · 7dd882eb
  peastman authored Aug 19, 2013
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del the context after its use in addHydrogens
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  7dd882eb
19 Aug, 2013 8 commits
- del the context after its call in addHydrogens · f36b8080
  Robert McGibbon authored Aug 19, 2013
  
  f36b8080
- Merge pull request #113 from peastman/master · 8f9f824e
  peastman authored Aug 19, 2013
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Documentation updates for 5.2.
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  8f9f824e
- Documentation updates for 5.2. · e0b8e2aa
  peastman authored Aug 19, 2013
  
  e0b8e2aa
- Merge pull request #112 from peastman/master · 8dbe1427
  peastman authored Aug 19, 2013
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Fixed deserialization error caused by SWIG not setting the object ownership flag (see bug 1902)
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  8dbe1427
- Fixed deserialization error caused by SWIG not setting the object ownership flag (see bug 1902) · b4b121bf
  peastman authored Aug 19, 2013
  
  b4b121bf
- Merge pull request #111 from peastman/master · 25f18524
  peastman authored Aug 19, 2013
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Fixed bug in RPMD contractions
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  25f18524
- Merge branch 'master' of https://github.com/peastman/openmm · 8f79f59e
  Peter Eastman authored Aug 19, 2013
  
  8f79f59e
- Fixed bug in RPMD contractions · 5e078fdd
  peastman authored Aug 19, 2013
  
  5e078fdd
16 Aug, 2013 2 commits
- Merge pull request #110 from peastman/master · cf990200
  peastman authored Aug 16, 2013
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Fixed numeric problems using PME with Drude particles
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  cf990200
- Fixed numeric problems using PME with Drude particles · 26c51a0c
  peastman authored Aug 16, 2013
  
  26c51a0c
15 Aug, 2013 10 commits
- Merge pull request #109 from peastman/master · 80dde429
  peastman authored Aug 15, 2013
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Avoid nans when using PME with Drude particles
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  80dde429
- Avoid nans when using PME with Drude particles · f4f5b568
  peastman authored Aug 15, 2013
  
  f4f5b568
- Merge pull request #108 from peastman/master · 68632d78
  peastman authored Aug 15, 2013
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PDBFile was using the wrong data type for its unit cell dimensions
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  68632d78
- PDBFile was using the wrong data type for its unit cell dimensions · 8f6d3ec1
  peastman authored Aug 15, 2013
  
  8f6d3ec1
- Merge pull request #107 from peastman/master · 0c661886
  peastman authored Aug 15, 2013
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Various bug fixes
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  0c661886
- Fixed an overly sensitive test case that tended to fail · d74c8d0c
  peastman authored Aug 15, 2013
  
  d74c8d0c
- Fixed crash due to a kernel's arguments having changed · 01622931
  peastman authored Aug 15, 2013
  
  01622931
- Fixed bug under certain compilers · 56323ff2
  peastman authored Aug 15, 2013
  
  56323ff2
- Merge pull request #106 from peastman/master · af408590
  peastman authored Aug 14, 2013
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Improvements to Gromacs file processing
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  af408590
- Improvements to Gromacs file processing · 751e7a31
  peastman authored Aug 14, 2013
  
  751e7a31
14 Aug, 2013 7 commits
- Merge pull request #105 from peastman/master · 246f0123
  peastman authored Aug 14, 2013
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Assorted code cleanup
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  246f0123
- Simplified reference platform code for processing nonbonded exclusions · 4b129949
  peastman authored Aug 14, 2013
  
  4b129949
- simtk.openmm.__version__ always matches the OpenMM version number · 21fc406b
  peastman authored Aug 14, 2013
  
  21fc406b
- Merge pull request #104 from peastman/master · 98772b9f
  peastman authored Aug 14, 2013
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Fixed some compilation errors
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  98772b9f
- Fixed compilation errors on Windows · 922bda97
  Peter Eastman authored Aug 14, 2013
  
  922bda97
- Fixed the C and Fortran wrappers, which were broken by the addition of interaction groups · e7233c70
  peastman authored Aug 14, 2013
  
  e7233c70
- Merge pull request #98 from peastman/groups · c4403e70
  peastman authored Aug 13, 2013
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CustomNonbondedForce can restrict the computation to particular groups of atoms
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  c4403e70
13 Aug, 2013 2 commits
- Implemented long range correction for interaction groups · a11a0a56
  peastman authored Aug 13, 2013
  
  a11a0a56
- Bug fixes to interaction groups · b2af59a8
  peastman authored Aug 13, 2013
  
  b2af59a8
08 Aug, 2013 2 commits
- Finished OpenCL implementation of interaction groups · 4ea10969
  peastman authored Aug 08, 2013
  
  4ea10969
- Began creating OpenCL implementation of CustomNonbondedForce interaction groups · 54c0ca3f
  peastman authored Aug 08, 2013
  
  54c0ca3f
07 Aug, 2013 3 commits
- Bug fixes and an optimization to CustomNonbondedForce with interaction groups · aba74fd8
  peastman authored Aug 07, 2013
  
  aba74fd8
- Fixed Python API for CustomNonbondedForce.addInteractionGroup() · 5aebb617
  peastman authored Aug 07, 2013
  
  5aebb617
- Created CUDA implementation of restricting CustomNonbondedForce to selected interaction groups · 09611266
  peastman authored Aug 07, 2013
  
  09611266
05 Aug, 2013 1 commit
- Created API and reference implementation of restricting CustomNonbondedForce... · 9840ca70
  peastman authored Aug 05, 2013
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Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
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  9840ca70
02 Aug, 2013 4 commits
- Merge pull request #94 from peastman/master · ce8d6a2d
  peastman authored Aug 02, 2013
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Fixed some compilation errors
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  ce8d6a2d
- Merge branch 'master' of https://github.com/peastman/openmm · 615ab134
  Peter Eastman authored Aug 02, 2013
  
  615ab134
- Fixed compilation error on Windows · 01f21089
  Peter Eastman authored Aug 02, 2013
  
  01f21089
- Fixed compilation errors on compilers that do not enable SSE by default · c04bc137
  peastman authored Aug 02, 2013
  
  c04bc137