Commits · 06748808f7642bdb747e433d9c31440a25ef4c66 · tsoc / openmm

09 Dec, 2013 1 commit
- Parallelized SETTLE on CPU platform · 06748808
  peastman authored Dec 09, 2013
  
  06748808
06 Dec, 2013 2 commits
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
- Further optimizations to CPU platform · 99f3a8a2
  peastman authored Dec 06, 2013
  
  99f3a8a2
05 Dec, 2013 2 commits
- Minor optimizations to CPU platform · 2882737d
  peastman authored Dec 05, 2013
  
  2882737d
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
04 Dec, 2013 2 commits
- Enforce memory alignment to improve performance of vector operations. Also... · b1be68d8
  peastman authored Dec 04, 2013
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Enforce memory alignment to improve performance of vector operations.  Also fixed bugs in an earlier optimization.
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  b1be68d8
- Optimizations to CPU nonbonded forces: better load balancing between threads,... · be04ec57
  peastman authored Dec 04, 2013
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Optimizations to CPU nonbonded forces: better load balancing between threads, use linear splines instead of cubic
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  be04ec57
03 Dec, 2013 1 commit
- Optimization to building neighbor list on CPU platform · 56cf0fde
  peastman authored Dec 03, 2013
  
  56cf0fde
25 Nov, 2013 1 commit
- Fixed bugs in computing PME energy with CPU platform · 0ee8c785
  peastman authored Nov 25, 2013
  
  0ee8c785
13 Nov, 2013 2 commits
- Merge pull request #218 from peastman/master · d59a34fb
  peastman authored Nov 13, 2013
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Fixed errors on OS X 10.9: link against libc++ instead of libstdc++
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  d59a34fb
- Fixed errors on OS X 10.9: link against libc++ instead of libstdc++ · c1f64b3f
  peastman authored Nov 13, 2013
  
  c1f64b3f
08 Nov, 2013 2 commits
- Merge pull request #215 from peastman/master · 5c063a7e
  peastman authored Nov 08, 2013
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Added some missing virtual destructors
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  5c063a7e
- Added some missing virtual destructors · 9d207e8d
  peastman authored Nov 08, 2013
  
  9d207e8d
07 Nov, 2013 6 commits
- Merge pull request #213 from peastman/master · ed0abe80
  peastman authored Nov 07, 2013
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Fixed compilation errors on OS X 10.9
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  ed0abe80
- Fixed compilation errors on OS X 10.9 · 9a26412b
  peastman authored Nov 07, 2013
  
  9a26412b
- Merge pull request #212 from peastman/master · fd2708b4
  peastman authored Nov 07, 2013
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Tabulated log(x) to improve GB performance
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  fd2708b4
- Tabulated log(x) to improve GB performance · f39a5545
  peastman authored Nov 07, 2013
  
  f39a5545
- Merge pull request #211 from peastman/master · 59893e57
  peastman authored Nov 07, 2013
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Fixed compilation errors on gcc
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  59893e57
- Fixed compilation errors on gcc · 7714f7ff
  peastman authored Nov 07, 2013
  
  7714f7ff
06 Nov, 2013 4 commits
- Merge pull request #208 from peastman/master · f52c8d46
  peastman authored Nov 06, 2013
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Improved the geometry of hydroxyls when adding hydrogens
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  f52c8d46
- Improved the geometry of hydroxyls when adding hydrogens · cf80933e
  peastman authored Nov 06, 2013
  
  cf80933e
- Merge pull request #207 from peastman/master · 7ac8f663
  peastman authored Nov 06, 2013
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Optimizations to CPU version of GBSA
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  7ac8f663
- Optimizations to CPU version of GBSA · 563914a7
  peastman authored Nov 06, 2013
  
  563914a7
05 Nov, 2013 7 commits
- Merge pull request #206 from peastman/master · 412d42c9
  peastman authored Nov 05, 2013
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Moved benchmarking script into main repository
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  412d42c9
- Merge branch 'master' of https://github.com/peastman/openmm · c6b335e7
  Peter Eastman authored Nov 05, 2013
  
  c6b335e7
- Bug fix to benchmarking script · b1d98917
  peastman authored Nov 05, 2013
  
  b1d98917
- Bug fix to benchmarking script · aae25fd9
  Peter authored Nov 05, 2013
  
  aae25fd9
- Moved benchmarking script into main repository · be0b1ae3
  peastman authored Nov 05, 2013
  
  be0b1ae3
- Merge pull request #205 from peastman/gb · 4cb05183
  peastman authored Nov 04, 2013
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Created optimized CPU version of GBSAOBCForce
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  4cb05183
- Minor optimizations to CPU version of GBSAOBCForce · 775866b6
  peastman authored Nov 04, 2013
  
  775866b6
04 Nov, 2013 2 commits
- Created optimized CPU version of GBSAOBCForce · c97ca97b
  peastman authored Nov 04, 2013
  
  c97ca97b
- Bug fixes · 7b608514
  peastman authored Nov 04, 2013
  
  7b608514
01 Nov, 2013 3 commits
- Centralized the forces, positions, and thread pool so they can be shared between kernels · be61ee5b
  peastman authored Nov 01, 2013
  
  be61ee5b
- Merge pull request #200 from rmcgibbo/pgi · 2bc341a1
  peastman authored Oct 31, 2013
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include what you use
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  2bc341a1
- include what you use · 16978d1f
  Robert McGibbon authored Oct 31, 2013
  
  16978d1f
30 Oct, 2013 5 commits
- Merge pull request #195 from peastman/master · 8e11ed9c
  peastman authored Oct 30, 2013
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Skip all /internal directories when building Python wrappers.
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  8e11ed9c
- Skip all /internal directories when building Python wrappers. This allows the... · 521f61ef
  peastman authored Oct 30, 2013
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Skip all /internal directories when building Python wrappers.  This allows the configuration file to be simplified.
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  521f61ef
- Merge pull request #193 from peastman/master · 641389f7
  peastman authored Oct 30, 2013
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Minor optimizations to CPU platform: avoid applying periodic boundary conditions unnecessarily
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  641389f7
- Also use the previous optimization with reaction field · 79f064af
  peastman authored Oct 30, 2013
  
  79f064af
- Minor optimizations to CPU platform: avoid applying periodic boundary conditions unnecessarily · 62c64e3c
  peastman authored Oct 30, 2013
  
  62c64e3c