Commits · 5219d2a51b341c63a79f8dce0bac26b24d6a9cd8 · tsoc / openmm

22 Dec, 2013 5 commits
- Merge pull request #249 from swails/master · 5219d2a5
  peastman authored Dec 22, 2013
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Add a salt concentration term to the custom GB forces
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  5219d2a5
- Unit-ify the 0 in implicitSolventKappa. · 38f286e5
  Jason Swails authored Dec 22, 2013
  
  38f286e5
- Oops, 1/length, not length. · 3ca3fe54
  Jason Swails authored Dec 21, 2013
  
  3ca3fe54
- Merge branch 'master' of https://github.com/SimTk/openmm · caefd490
  Jason Swails authored Dec 21, 2013
  
  caefd490
- Allow implicitSolventKappa to have units (it has dimensions of length) and · 508f989d
  Jason Swails authored Dec 21, 2013
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convert the number to pure nanometers before using it in the GB code.
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  508f989d
21 Dec, 2013 3 commits
- Merge pull request #255 from peastman/master · 0b35240d
  peastman authored Dec 20, 2013
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Parallelized summing the forces from different threads
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  0b35240d
- Parallelized summing the forces from different threads · 8bdf0829
  peastman authored Dec 20, 2013
  
  8bdf0829
- Merge pull request #254 from peastman/master · f1258fc3
  peastman authored Dec 20, 2013
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Parallelized LangevinIntegrator for CPU platform
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  f1258fc3
20 Dec, 2013 4 commits
- Merge branch 'master' of https://github.com/peastman/openmm · 83470b8e
  peastman authored Dec 20, 2013
  
  83470b8e
- Merge pull request #253 from peastman/master · 39d270d7
  peastman authored Dec 20, 2013
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Bug fixes
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  39d270d7
- 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 2 commits
- Improved vectorization of CpuNonbondedForce · 5cd23acb
  peastman authored Dec 18, 2013
  
  5cd23acb
- kappa -> implicitSolventKappa · a727539a
  Jason Swails authored Dec 18, 2013
  
  a727539a
17 Dec, 2013 1 commit
- Created AVX implementation of CPU nonbonded force · e22808f3
  peastman authored Dec 16, 2013
  
  e22808f3
16 Dec, 2013 2 commits
- Add a salt concentration term to the custom GB forces and add an optional · b56f6530
  Jason Swails authored Dec 16, 2013
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"kappa" keyword to the Amber createSystem method call to allow users to specify
it.
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  b56f6530
- 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 1 commit
- 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