Commits · 5b591ab0387e79cd346d80d0161a1ddd6d53621e · tsoc / openmm

23 Oct, 2014 7 commits
- Merge pull request #669 from peastman/custom · 5b591ab0
  peastman authored Oct 23, 2014
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Minor optimization to discrete tabulated functions
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  5b591ab0
- Minor optimization to discrete tabulated functions · 87ea8433
  Peter Eastman authored Oct 23, 2014
  
  87ea8433
- Merge pull request #667 from peastman/gb · 98652498
  peastman authored Oct 23, 2014
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Optimizations to the custom GB models
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  98652498
- Fixed CHARMM parser to work with changes to custom GB models · 5bed3590
  Peter Eastman authored Oct 23, 2014
  
  5bed3590
- Merge pull request #668 from peastman/multi · 55bae85f
  peastman authored Oct 23, 2014
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Optimizations to multi-GPU calculations
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  55bae85f
- Further optimizations to custom GB models · 71b67421
  Peter Eastman authored Oct 23, 2014
  
  71b67421
- Optimizations to the custom GB models · 92a4bbe1
  Peter Eastman authored Oct 22, 2014
  
  92a4bbe1
22 Oct, 2014 2 commits
- Merge pull request #665 from peastman/980 · e19cefde
  peastman authored Oct 22, 2014
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Workaround for driver bugs on GTX 980
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  e19cefde
- Better workaround for bug on GTX 980 · be863b08
  Peter Eastman authored Oct 22, 2014
  
  be863b08
21 Oct, 2014 2 commits
- Workaround for driver bugs that affect GTX 980 · 8e2fc4ea
  Peter Eastman authored Oct 21, 2014
  
  8e2fc4ea
- Optimizations to multi-GPU calculations · 390e0a6b
  root authored Oct 21, 2014
  
  390e0a6b
15 Oct, 2014 4 commits
- Merge pull request #658 from peastman/980 · ba66e90e
  peastman authored Oct 15, 2014
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Workaround to support GTX 980
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  ba66e90e
- Workaround to support GTX 980 · 942d4d7a
  Peter Eastman authored Oct 15, 2014
  
  942d4d7a
- Merge pull request #656 from peastman/sum · 68411b8d
  peastman authored Oct 15, 2014
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Fixed bug in Quantity.sum()
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  68411b8d
- Fixed bug in Quantity.sum() · 9184c372
  Peter Eastman authored Oct 15, 2014
  
  9184c372
14 Oct, 2014 2 commits
- Merge pull request #655 from peastman/paths · 05030307
  peastman authored Oct 14, 2014
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Removed some unnecessary library references that caused problems for conda on OS X
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  05030307
- Removed some unnecessary library references that caused problems for conda on OS X · dd27dd07
  peastman authored Oct 14, 2014
  
  dd27dd07
13 Oct, 2014 4 commits
- Merge pull request #654 from peastman/sasa · f96c8313
  peastman authored Oct 13, 2014
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GBSAOBCForce allows the surface area energy to be changed
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  f96c8313
- Setting surface area energy works with serialization · ead929de
  peastman authored Oct 13, 2014
  
  ead929de
- Setting surface area energy works with Python API · 438b29b4
  peastman authored Oct 13, 2014
  
  438b29b4
- GBSAOBCForce allows the surface area energy to be changed · 34a604b8
  peastman authored Oct 13, 2014
  
  34a604b8
10 Oct, 2014 2 commits
- Merge pull request #650 from peastman/opt · 7b65830a
  peastman authored Oct 10, 2014
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Optimizations to AMOEBA
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  7b65830a
- Optimizations to AMOEBA · 87dd3823
  peastman authored Oct 10, 2014
  
  87dd3823
09 Oct, 2014 6 commits
- Merge pull request #649 from peastman/opt · 61a8b779
  peastman authored Oct 09, 2014
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Further optimizations to NonbondedForce
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  61a8b779
- Further optimizations to NonbondedForce · 3d1b2186
  peastman authored Oct 09, 2014
  
  3d1b2186
- Merge pull request #648 from peastman/master · fea6a22f
  peastman authored Oct 09, 2014
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Deleted obsolete files
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  fea6a22f
- Deleted obsolete files · 86d09347
  peastman authored Oct 09, 2014
  
  86d09347
- Merge pull request #647 from peastman/stream · 8b69b9c0
  peastman authored Oct 09, 2014
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Compute PME on a separate stream
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  8b69b9c0
- Bug fix · 19841146
  peastman authored Oct 09, 2014
  
  19841146
08 Oct, 2014 3 commits
- OpenCL platform does PME on a separate stream · 94aa8c3f
  peastman authored Oct 08, 2014
  
  94aa8c3f
- CUDA platform does PME on a separate stream · 832e7f04
  peastman authored Oct 08, 2014
  
  832e7f04
- Merge pull request #644 from peastman/cpugb · b8bae04c
  peastman authored Oct 08, 2014
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Created CPU implementation of CustomGBForce
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  b8bae04c
07 Oct, 2014 6 commits
- More optimizations to CpuCustomGBForce · 4c8750ad
  peastman authored Oct 07, 2014
  
  4c8750ad
- Very minor optimization to CpuCustomGBForce · ea435536
  peastman authored Oct 07, 2014
  
  ea435536
- Parallelized CpuCustomGBForce · 6a4ac837
  peastman authored Oct 07, 2014
  
  6a4ac837
- Further optimizations to CustomGBForce · bb70341a
  peastman authored Oct 07, 2014
  
  bb70341a
- Eliminated some unnecessary memory allocation · 83a0b613
  peastman authored Oct 07, 2014
  
  83a0b613
- Merge pull request #643 from swails/numpy-unit · ff586f5f
  peastman authored Oct 06, 2014
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[WIP] Add functions to Quantity to compute the max, min, standard deviation and average of a Quantity, returning a Quantity.
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  ff586f5f
06 Oct, 2014 2 commits
- More optimizations to CPU CustomGBForce · 4d827cd9
  peastman authored Oct 06, 2014
  
  4d827cd9
- Possible speedup for unit_math.sum function. · f6d90066
  Jason Swails authored Oct 06, 2014
  
  f6d90066