Commits · 4cf722abcb765092d3f70a3b3032e59260e42bb6 · tsoc / openmm

04 Sep, 2015 1 commit
- Improved placement of license information in manuals · 4cf722ab
  peastman authored Sep 04, 2015
  
  4cf722ab
03 Sep, 2015 1 commit
- Merge pull request #1119 from peastman/centroid · cef58048
  peastman authored Sep 03, 2015
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Created CustomCentroidBondForce
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  cef58048
02 Sep, 2015 5 commits
- Added CustomCentroidBondForce to OpenMM.h · ca805216
  peastman authored Sep 02, 2015
  
  ca805216
- Added documentation for CustomCentroidBondForce · 03a0e9d2
  peastman authored Sep 02, 2015
  
  03a0e9d2
- Created OpenCL version of CustomCentroidBondForce · 7893f59a
  peastman authored Sep 02, 2015
  
  7893f59a
- Finished CUDA version of CustomCentroidBondForce · 5d9fc98b
  peastman authored Sep 02, 2015
  
  5d9fc98b
- Began CUDA version of CustomCentroidBondForce · 4d823b0a
  peastman authored Sep 02, 2015
  
  4d823b0a
01 Sep, 2015 3 commits
- Merge pull request #1083 from rmcgibbo/wip-single-23-codebase · b665dfcb
  peastman authored Sep 01, 2015
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Single py2/3 codebase
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  b665dfcb
- Created reference implementation of CustomCentroidBondForce · 56d95193
  peastman authored Sep 01, 2015
  
  56d95193
- Merge pull request #1115 from rmcgibbo/policy · 69a3f678
  peastman authored Aug 31, 2015
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Silence OSX CMake RPATH warning
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  69a3f678
31 Aug, 2015 4 commits
- Merge pull request #1116 from rmcgibbo/OpenCL-CPU · 043377fd
  peastman authored Aug 31, 2015
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Fix OpenCL Nonbonded Force on certain CPU devices
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  043377fd
- Fix OpenCL on CPU · e98997f9
  vagrant authored Aug 31, 2015
  
  e98997f9
- Silence OSX CMake RPATH warning · b954757b
  Robert T. McGibbon authored Aug 31, 2015
  
  b954757b
- Created API for CustomCentroidBondForce · f1603534
  peastman authored Aug 31, 2015
  
  f1603534
27 Aug, 2015 2 commits
- Merge branch 'master' into wip-single-23-codebase · 83d0e5e3
  Robert McGibbon authored Aug 27, 2015
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x
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  83d0e5e3
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
26 Aug, 2015 3 commits
- Merge pull request #1110 from jchodera/remove-index · fff798a1
  peastman authored Aug 26, 2015
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Turn off HTML index generation in Sphinx.
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  fff798a1
- Turn off HTML index generation for developer guide. · b2899ace
  Chodera authored Aug 26, 2015
  
  b2899ace
- Turn off HTML index generation in Sphinx. · a38da1f5
  Chodera authored Aug 26, 2015
  
  a38da1f5
24 Aug, 2015 6 commits
- Merge pull request #1105 from peastman/drudetest · 5866a98f
  peastman authored Aug 24, 2015
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Fixed an overly sensitive test case
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  5866a98f
- Fixed an overly sensitive test case · 6e8f68a5
  peastman authored Aug 24, 2015
  
  6e8f68a5
- Merge pull request #1104 from peastman/amoebapmeopt · 2de02ad1
  peastman authored Aug 24, 2015
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Optimizations to AMOEBA PME
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  2de02ad1
- Merge pull request #1103 from peastman/newobject · 2daea13b
  peastman authored Aug 24, 2015
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Added some missing %newobject tags in SWIG configuration
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  2daea13b
- Fixed performance regression on Kepler · 0f86d9d9
  peastman authored Aug 24, 2015
  
  0f86d9d9
- Added some missing %newobject tags in SWIG configuration · 2031d4e6
  peastman authored Aug 24, 2015
  
  2031d4e6
21 Aug, 2015 3 commits
- Optimizations to AMOEBA PME · b591d011
  Peter Eastman authored Aug 21, 2015
  
  b591d011
- Merge pull request #1101 from peastman/multipoles · 9da84a77
  peastman authored Aug 21, 2015
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Implemented spherical harmonics for multipoles
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  9da84a77
- Switched back to cartesian multipoles everywhere that they're faster than spherical ones · 4de0fc05
  peastman authored Aug 21, 2015
  
  4de0fc05
20 Aug, 2015 5 commits
- Simplification and cleanup to spherical harmonics code · 5c090de2
  peastman authored Aug 20, 2015
  
  5c090de2
- CUDA implementation of spherical harmonics w/o PME · 474f600e
  peastman authored Aug 20, 2015
  
  474f600e
- Swapped incorrect labels for dScale and pScale · 39e640c0
  peastman authored Aug 20, 2015
  
  39e640c0
- Merge pull request #1100 from peastman/settle · 9103d170
  peastman authored Aug 20, 2015
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Fixed an unnecessary exception in SETTLE code
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  9103d170
- Fixed an unnecessary exception in SETTLE code · 1342158e
  peastman authored Aug 20, 2015
  
  1342158e
19 Aug, 2015 3 commits
- Cleanup and minor optimizations to spherical harmonics code · 6b018e57
  peastman authored Aug 19, 2015
  
  6b018e57
- Removed some double precision constants · ce348cdc
  peastman authored Aug 19, 2015
  
  ce348cdc
- Continuing CUDA implementation of spherical harmonics for multipoles · 72ab8864
  peastman authored Aug 19, 2015
  
  72ab8864
18 Aug, 2015 1 commit
- Merge pull request #1098 from rmcgibbo/appveyor-faster · e63bc99d
  peastman authored Aug 18, 2015
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Appveyor faster
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  e63bc99d
17 Aug, 2015 1 commit
- Began CUDA implementation of spherical harmonics for multipoles · fa21870f
  peastman authored Aug 17, 2015
  
  fa21870f
14 Aug, 2015 2 commits
- Removed obsolete reference multipole code · 3b4dca22
  peastman authored Aug 14, 2015
  
  3b4dca22
- Merge branch 'spherical_harmonics' of https://github.com/andysim/openmm into multipoles · bfc34052
  peastman authored Aug 14, 2015
  
  bfc34052