Commits · 8bdf08297519c0847d32ecce8d9616f79d75d3d9 · tsoc / openmm

21 Dec, 2013 1 commit
- Parallelized summing the forces from different threads · 8bdf0829
  peastman authored Dec 20, 2013
  
  8bdf0829
20 Dec, 2013 3 commits
- Merge branch 'master' of https://github.com/peastman/openmm · 83470b8e
  peastman authored Dec 20, 2013
  
  83470b8e
- Benchmark script did not set OpenCLPrecision correctly · 92b12c5d
  peastman authored Dec 20, 2013
  
  92b12c5d
- Fixed a compilation error on gcc 4.4 · 3366382d
  peastman authored Dec 20, 2013
  
  3366382d
19 Dec, 2013 4 commits
- Parallelized LangevinIntegrator for CPU platform · ddf1216d
  peastman authored Dec 19, 2013
  
  ddf1216d
- Merge pull request #251 from peastman/avx · da998c51
  peastman authored Dec 19, 2013
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CPU platform can use AVX when available
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  da998c51
- Fixed bug in detecting if AVX is supported · 6cde1860
  peastman authored Dec 19, 2013
  
  6cde1860
- Automatically select whether to use the SSE or AVX version of CpuNonbondedForce · d4af8747
  peastman authored Dec 18, 2013
  
  d4af8747
18 Dec, 2013 1 commit
- Improved vectorization of CpuNonbondedForce · 5cd23acb
  peastman authored Dec 18, 2013
  
  5cd23acb
17 Dec, 2013 1 commit
- Created AVX implementation of CPU nonbonded force · e22808f3
  peastman authored Dec 16, 2013
  
  e22808f3
16 Dec, 2013 1 commit
- Created wrapper classes for AVX vectors · ddad7c6c
  peastman authored Dec 16, 2013
  
  ddad7c6c
13 Dec, 2013 10 commits
- Merge pull request #247 from peastman/master · 59982c00
  peastman authored Dec 13, 2013
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Fixed some incorrect parameters in SWM4-NDP water model
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  59982c00
- Fixed some incorrect parameters in SWM4-NDP water model · ce9e41ab
  peastman authored Dec 13, 2013
  
  ce9e41ab
- Merge pull request #246 from peastman/master · 2def8113
  peastman authored Dec 13, 2013
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Detect if user specifies an unknown property name
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  2def8113
- Detect if user specifies an unknown property name · 8beb127c
  peastman authored Dec 13, 2013
  
  8beb127c
- Merge pull request #245 from peastman/wrappers · 911e27da
  peastman authored Dec 13, 2013
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Reimplemented C/Fortran wrapper generation
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  911e27da
- Minor fix to Python wrappers · 0a4ffa8b
  peastman authored Dec 13, 2013
  
  0a4ffa8b
- Merged latest changes from main branch · d56c21b0
  peastman authored Dec 13, 2013
  
  d56c21b0
- Fixed compilation errors in debug mode · 1049add2
  peastman authored Dec 13, 2013
  
  1049add2
- Merge pull request #244 from peastman/master · 306d1bb0
  peastman authored Dec 12, 2013
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Reference implementation of AndersenThermostat did not handle massless particles correctly
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  306d1bb0
- Reference implementation of AndersenThermostat did not handle massless particles correctly · 8d062ebb
  peastman authored Dec 12, 2013
  
  8d062ebb
12 Dec, 2013 8 commits
- Merge pull request #243 from peastman/master · 0865043e
  peastman authored Dec 12, 2013
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All code is compiled with SSE enabled.  This eliminates errors with some compilers.
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  0865043e
- All code is compiled with SSE enabled. This eliminates errors with some compilers. · 7ff1faaf
  peastman authored Dec 12, 2013
  
  7ff1faaf
- Fixed errors when using pre-1.8 versions of Doxygen · 1a0d715f
  peastman authored Dec 12, 2013
  
  1a0d715f
- Merge pull request #241 from peastman/master · 18eaf2ca
  peastman authored Dec 12, 2013
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Plugins work with CPU platform
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  18eaf2ca
- Plugins work with CPU platform. This involved separating the reference... · ef830210
  peastman authored Dec 12, 2013
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Plugins work with CPU platform.  This involved separating the reference implementations of plugins into their own libraries.
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  ef830210
- Bug fixes to Fortran wrappers · ec5d89d2
  peastman authored Dec 12, 2013
  
  ec5d89d2
- Merge pull request #239 from peastman/master · 5c227efc
  peastman authored Dec 11, 2013
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Fixes for compilation errors on Visual Studio 2013
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  5c227efc
- Fixes for compilation errors on Visual Studio 2013 · b4150b1b
  peastman authored Dec 11, 2013
  
  b4150b1b
11 Dec, 2013 3 commits
- Merge pull request #238 from peastman/master · 56e5e007
  peastman authored Dec 11, 2013
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RPMD works correctly with a barostat
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  56e5e007
- RPMD works correctly with a barostat · 88a11531
  peastman authored Dec 11, 2013
  
  88a11531
- Merge pull request #237 from peastman/master · 7a084040
  peastman authored Dec 11, 2013
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Pickling an Element object works correctly
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  7a084040
10 Dec, 2013 7 commits
- Merge branch 'master' of https://github.com/peastman/openmm · a78624e3
  Peter Eastman authored Dec 10, 2013
  
  a78624e3
- Pickling an Element object works correctly · 24eb8d48
  peastman authored Dec 10, 2013
  
  24eb8d48
- Merged changes from main branch · 588a4c9d
  peastman authored Dec 10, 2013
  
  588a4c9d
- Merge pull request #235 from peastman/master · ff6af025
  peastman authored Dec 10, 2013
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Minor optimizations to CPU platform
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  ff6af025
- Minor optimizations to CPU platform · 9ec4f597
  peastman authored Dec 10, 2013
  
  9ec4f597
- Merge pull request #233 from peastman/master · 3176ab17
  peastman authored Dec 09, 2013
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Still more fixes for problems on OS X 10.9
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  3176ab17
- Still more fixes for problems on OS X 10.9 · 0cb269f5
  peastman authored Dec 09, 2013
  
  0cb269f5
09 Dec, 2013 1 commit
- Merge pull request #232 from peastman/master · 1b942062
  peastman authored Dec 09, 2013
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Fixed bug in pull request #227
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  1b942062