Commits · d927ff492546762aadaf9083a33a4545e38de1be · tsoc / openmm

19 Aug, 2016 1 commit
- Minor optimizations · d927ff49
  Peter Eastman authored Aug 19, 2016
  
  d927ff49
12 Aug, 2016 1 commit
- Merge pull request #1558 from peastman/variables · 27550631
  peastman authored Aug 12, 2016
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Optimizations to custom forces/integrators on CPU platform
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  27550631
11 Aug, 2016 1 commit
- Optimization to CustomNonbondedForce and CustomIntegrator on CPU · bf0b43c5
  peastman authored Aug 11, 2016
  
  bf0b43c5
10 Aug, 2016 4 commits
- Optimization to CustomGBForce on CPU · 1c416f54
  peastman authored Aug 10, 2016
  
  1c416f54
- Merge pull request #1555 from peastman/gbbugs · 5a8a8aa9
  peastman authored Aug 10, 2016
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Fixed bugs related to CustomGBForce
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  5a8a8aa9
- Fixed bugs related to CustomGBForce · 77c00e41
  peastman authored Aug 10, 2016
  
  77c00e41
- Merge pull request #1553 from peastman/gayberne · a468fa3a
  peastman authored Aug 09, 2016
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Implemented Gay-Berne ellipsoids
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  a468fa3a
09 Aug, 2016 6 commits
- Merge branch 'gayberne' of https://github.com/peastman/openmm into gayberne · ebf0ca29
  peastman authored Aug 09, 2016
  
  ebf0ca29
- Implemented serialization of GayBerneForce · 5f1c5e19
  peastman authored Aug 09, 2016
  
  5f1c5e19
- Fixed compilation errors on Windows · b683cd81
  peastman authored Aug 09, 2016
  
  b683cd81
- Fixed compilation error in mixed precision mode · ddd7307d
  Peter Eastman authored Aug 09, 2016
  
  ddd7307d
- Merge branch 'gayberne' of https://github.com/peastman/openmm into gayberne · 24b68822
  peastman authored Aug 09, 2016
  
  24b68822
- Added documentation on GayBerneForce to manual · d676ed8e
  peastman authored Aug 09, 2016
  
  d676ed8e
08 Aug, 2016 2 commits
- Merge pull request #1552 from peastman/segfault · c1843f54
  peastman authored Aug 08, 2016
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Fixed segfault related to parameter derivatives
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  c1843f54
- Fixed segfault related to parameter derivatives · 3c65f15b
  peastman authored Aug 08, 2016
  
  3c65f15b
05 Aug, 2016 5 commits
- Merge pull request #1549 from peastman/nvcc · 09a05c0a
  peastman authored Aug 05, 2016
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Prefer nvcc over runtime compiler
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  09a05c0a
- Merge pull request #1550 from peastman/cpuerror · 55ffb75f
  peastman authored Aug 05, 2016
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Fixed compilation error with OpenCL on CPU
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  55ffb75f
- Fixed compilation error with OpenCL on CPU · 2f024f11
  peastman authored Aug 05, 2016
  
  2f024f11
- Prefer nvcc over runtime compiler · 978e3a08
  Peter Eastman authored Aug 05, 2016
  
  978e3a08
- Merge pull request #1548 from peastman/gromacs · 5782cb5c
  peastman authored Aug 05, 2016
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Bug fixes to reading Gromacs files
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  5782cb5c
04 Aug, 2016 1 commit
- Bug fixes to reading Gromacs files · da8a47dd
  peastman authored Aug 04, 2016
  
  da8a47dd
02 Aug, 2016 1 commit
- Finished CUDA version of GayBerneForce · 01440b46
  Peter Eastman authored Aug 02, 2016
  
  01440b46
01 Aug, 2016 2 commits
- Began CUDA version of GayBerneForce · 222b3bb4
  peastman authored Aug 01, 2016
  
  222b3bb4
- Merge branch 'master' into gayberne · a381a3ab
  peastman authored Aug 01, 2016
  
  a381a3ab
30 Jul, 2016 1 commit
- Merge pull request #1547 from peastman/paramderivs · 1f7866ad
  peastman authored Jul 29, 2016
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Energy derivatives with respect to global parameters
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  1f7866ad
29 Jul, 2016 4 commits
- Fixed segfault · 7851bad8
  Peter Eastman authored Jul 29, 2016
  
  7851bad8
- Bug fixes to OpenCL on CPU · 823b9a75
  peastman authored Jul 29, 2016
  
  823b9a75
- Added documentation on parameter derivatives · 68f1f485
  Peter Eastman authored Jul 29, 2016
  
  68f1f485
- CUDA and OpenCL implementation of parameter derivatives for CustomCentroidBondForce · b90354c9
  Peter Eastman authored Jul 29, 2016
  
  b90354c9
27 Jul, 2016 4 commits
- Continuing CUDA implementation of parameter derivatives · ccb2000d
  Peter Eastman authored Jul 27, 2016
  
  ccb2000d
- Continuing CUDA implementation of parameter derivatives · 4949017b
  Peter Eastman authored Jul 27, 2016
  
  4949017b
- Began CUDA implementation of parameter derivatives · eae8def5
  Peter Eastman authored Jul 27, 2016
  
  eae8def5
- Bug fixes to parameter derivatives for OpenCL CustomGBForce · e47cf907
  peastman authored Jul 27, 2016
  
  e47cf907
26 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomIntegrator · dbdf1c68
  peastman authored Jul 26, 2016
  
  dbdf1c68
25 Jul, 2016 1 commit
- Reference implementation of parameter derivatives for CustomIntegrator · 2a52e208
  peastman authored Jul 25, 2016
  
  2a52e208
22 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomGBForce · 74efa95f
  peastman authored Jul 22, 2016
  
  74efa95f
13 Jul, 2016 3 commits
- Merge pull request #1540 from peastman/gbnerror · 37787af9
  peastman authored Jul 13, 2016
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Fixed nan with GBn and GBn2
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  37787af9
- Serialization of parameter derivatives · df07fbe9
  peastman authored Jul 13, 2016
  
  df07fbe9
- CPU implementation of parameter derivatives for CustomGBForce · ff8cac54
  peastman authored Jul 12, 2016
  
  ff8cac54
12 Jul, 2016 1 commit
- Fixed nan with GBn and GBn2 · 162f5cc7
  Peter Eastman authored Jul 12, 2016
  
  162f5cc7