Commits · 551c5b03af19cdce1860f3ed39d27054acf20dd1 · tsoc / openmm

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21 Feb, 2017 1 commit
- Small fixes to LJPME testing. · 551c5b03
  Andy Simmonett authored Feb 21, 2017
  
  551c5b03
20 Feb, 2017 3 commits
- Merge branch 'master' of github.com:pandegroup/openmm into dpme · 1945dd6c
  Andy Simmonett authored Feb 20, 2017
  
  1945dd6c
- Loosened tolerance for force checks slighly, for single precision CUDA test. · 203e5407
  Andy Simmonett authored Feb 19, 2017
  
  203e5407
- New DMF test, with GROMACS reference inputs, to test the correctness of replacement 1-4 parameters. · c08b19ee
  Andy Simmonett authored Feb 19, 2017
  
  c08b19ee
16 Feb, 2017 8 commits
- Merge pull request #1741 from peastman/lamda · 9963e51a
  peastman authored Feb 16, 2017
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Use lambdas for thread pool tasks
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  9963e51a
- Attempting to fix travis errors · 50054664
  peastman authored Feb 16, 2017
  
  50054664
- Attempting to fix appveyor errors · 259b808c
  peastman authored Feb 16, 2017
  
  259b808c
- Attempting to fix appveyor errors · af1cc4e1
  peastman authored Feb 16, 2017
  
  af1cc4e1
- Attempting to fix travis errors · 89e69535
  peastman authored Feb 16, 2017
  
  89e69535
- Attempting to fix travis errors · 1b9ba8cb
  peastman authored Feb 16, 2017
  
  1b9ba8cb
- Attempting to fix travis errors · 30c57740
  peastman authored Feb 16, 2017
  
  30c57740
- Attempt at fixing errors on travis and appveyor · 06fe75fb
  peastman authored Feb 16, 2017
  
  06fe75fb
15 Feb, 2017 4 commits
- Require CMake 3.1 or later · 31d7f883
  peastman authored Feb 15, 2017
  
  31d7f883
- Use lambdas for thread pool tasks · 859bfd6c
  peastman authored Feb 15, 2017
  
  859bfd6c
- Merge pull request #1740 from peastman/updateparams · 2c559596
  peastman authored Feb 15, 2017
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Optimizations to updateParametersInContext()
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  2c559596
- Optimizations to updateParametersInContext() for CUDA · 2a1e9acf
  Peter Eastman authored Feb 15, 2017
  
  2a1e9acf
14 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for OpenCL · 67091abf
  Peter Eastman authored Feb 14, 2017
  
  67091abf
10 Feb, 2017 3 commits
- Merge pull request #1736 from peastman/leak · dd712841
  peastman authored Feb 10, 2017
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Fixed memory leaks when minimizer fails
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  dd712841
- Fixed memory leaks when minimizer fails · df6bbb23
  peastman authored Feb 10, 2017
  
  df6bbb23
- Merge pull request #5 from peastman/ljpme · 723074e7
  Andy Simmonett authored Feb 10, 2017
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Created OpenCL implementation of dispersion PME
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  723074e7
08 Feb, 2017 4 commits
- Disable CPU PME when using dispersion PME on OpenCL · 625f6440
  Peter Eastman authored Feb 08, 2017
  
  625f6440
- Disable CPU PME when using dispersion PME · 09d22418
  Peter Eastman authored Feb 08, 2017
  
  09d22418
- Created OpenCL implementation of dispersion PME · 5ef1d4eb
  Peter Eastman authored Feb 08, 2017
  
  5ef1d4eb
- Merge pull request #4 from peastman/ljpme · 46f604a1
  peastman authored Feb 08, 2017
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Revised calculation for dispersion PME grid size
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  46f604a1
07 Feb, 2017 1 commit
- Bug fixes · edfcdec3
  Peter Eastman authored Feb 07, 2017
  
  edfcdec3
03 Feb, 2017 5 commits
- Revised calculation for dispersion PME grid size · 8647eaad
  Peter Eastman authored Feb 03, 2017
  
  8647eaad
- Merge pull request #1731 from kyleabeauchamp/fixmts · 6231d53f
  peastman authored Feb 03, 2017
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Fix substeps division in MTSIntegrator
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  6231d53f
- Merge pull request #1724 from andysim/amoebafix · 249257a0
  peastman authored Feb 03, 2017
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Trivial changes to AMOEBA plugin.
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  249257a0
- Merge pull request #1732 from peastman/static · 02278d97
  peastman authored Feb 03, 2017
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Fix compilation errors in static builds on Windows
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  02278d97
- Fix compilation errors in static builds on Windows · 4dc66160
  peastman authored Feb 03, 2017
  
  4dc66160
01 Feb, 2017 3 commits
- Merge pull request #3 from peastman/ljpme · 52c7e744
  Andy Simmonett authored Feb 01, 2017
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Bug fix to CUDA dispersion PME
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  52c7e744
- Bug fix to CUDA dispersion PME · d326d15d
  Peter Eastman authored Feb 01, 2017
  
  d326d15d
- Fix substeps division in MTSIntegrator · 5ce0bd2f
  Kyle Beauchamp authored Jan 31, 2017
  
  5ce0bd2f
28 Jan, 2017 2 commits
- Merge pull request #2 from peastman/ljpme · 6b586f76
  Andy Simmonett authored Jan 28, 2017
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More updates to dispersion PME
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  6b586f76
- Fixed bug computing B-spline moduli · e94e4d0a
  Peter Eastman authored Jan 27, 2017
  
  e94e4d0a
26 Jan, 2017 4 commits
- Updated documentation for dispersion PME · a9b636aa
  Peter Eastman authored Jan 26, 2017
  
  a9b636aa
- More updates to dispersion PME · c9fcabb5
  Peter Eastman authored Jan 26, 2017
  
  c9fcabb5
- Fixes to dispersion PME · c274f08d
  Peter Eastman authored Jan 26, 2017
  
  c274f08d
- Merge pull request #1 from peastman/ljpme · 3b6925ae
  Andy Simmonett authored Jan 26, 2017
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Cleanup to LJ PME code
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  3b6925ae
25 Jan, 2017 1 commit
- Reduced duplication in the code for Coulomb and LJ PME · f7a102fb
  Peter Eastman authored Jan 25, 2017
  
  f7a102fb