Commits · 372f1724cf68ae134a7fefe4f76d7a5a63e3968d · tsoc / openmm

14 Feb, 2018 2 commits
- Finished converting CudaArrays. · 372f1724
  Peter Eastman authored Feb 14, 2018
  
  372f1724
- Continuing to convert CudaArrays. · f15f591b
  Peter Eastman authored Feb 14, 2018
  
  f15f591b
12 Feb, 2018 1 commit
- Began converting CudaArrays. · b8c86406
  Peter Eastman authored Feb 12, 2018
  
  b8c86406
09 Feb, 2018 1 commit
- More conversion of OpenCLArrays · b33ee3b0
  peastman authored Feb 08, 2018
  
  b33ee3b0
08 Feb, 2018 1 commit
- Convert OpenCLArray to use RAII · d59b0373
  peastman authored Feb 08, 2018
  
  d59b0373
07 Feb, 2018 9 commits
- Merge pull request #1986 from peastman/error · 44daf269
  peastman authored Feb 07, 2018
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Fixed compilation error in kernel
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  44daf269
- Fixed race condition · de666e30
  peastman authored Feb 07, 2018
  
  de666e30
- Merge pull request #1984 from peastman/cpu · 32400ee5
  peastman authored Feb 07, 2018
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LocalEnergyMinimizer switches to CPU if forces are getting clipped
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  32400ee5
- Merge pull request #1985 from peastman/export · 460b0d4f
  peastman authored Feb 07, 2018
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Added missing Windows exports
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  460b0d4f
- Fixed compilation error in kernel · b849c856
  peastman authored Feb 07, 2018
  
  b849c856
- Merge branch 'master' of https://github.com/SimTk/openmm · 59836b77
  peastman authored Feb 07, 2018
  
  59836b77
- Fixed compilation error on Windows · 4cc77852
  peastman authored Feb 06, 2018
  
  4cc77852
- Merge pull request #1983 from peastman/charge · f769300f
  peastman authored Feb 06, 2018
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Optimization to charge spreading
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  f769300f
- Merge pull request #1982 from peastman/rmsd · 1051acbd
  peastman authored Feb 06, 2018
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Created RMSDForce
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  1051acbd
06 Feb, 2018 1 commit
- Include PME optimization for OpenCL on CPU · a3a17da1
  peastman authored Feb 06, 2018
  
  a3a17da1
02 Feb, 2018 3 commits
- Added missing Windows exports · 1831e58d
  Peter Eastman authored Feb 02, 2018
  
  1831e58d
- Optimization to charge spreading · f2e734dc
  Peter Eastman authored Feb 02, 2018
  
  f2e734dc
- Merge branch 'master' of https://github.com/SimTk/openmm · 99b62b77
  peastman authored Feb 02, 2018
  
  99b62b77
30 Jan, 2018 2 commits
- Merge pull request #1977 from peastman/charmm · f481bd0a
  peastman authored Jan 30, 2018
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Fixes to CHARMM36 force field
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  f481bd0a
- Fixes to CHARMM36 force field · 7f067d28
  peastman authored Jan 30, 2018
  
  7f067d28
26 Jan, 2018 1 commit
- Merge branch 'master' of https://github.com/SimTk/openmm · 893385f1
  peastman authored Jan 26, 2018
  
  893385f1
24 Jan, 2018 5 commits
- Documentation for RMSDForce · 107f4580
  Peter Eastman authored Jan 24, 2018
  
  107f4580
- Optimizations to RMSDForce · 56b199be
  Peter Eastman authored Jan 24, 2018
  
  56b199be
- CUDA implementation of RMSDForce · f4dc3110
  Peter Eastman authored Jan 24, 2018
  
  f4dc3110
- More robust against numerical error · 2855d12e
  Peter Eastman authored Jan 24, 2018
  
  2855d12e
- Implemented serialization for RMSDForce · f6a8d1ea
  Peter Eastman authored Jan 23, 2018
  
  f6a8d1ea
23 Jan, 2018 3 commits
- Fixed problems related to RMSDForce · 9701ed09
  Peter Eastman authored Jan 23, 2018
  
  9701ed09
- Added tests · f08c1426
  peastman authored Jan 23, 2018
  
  f08c1426
- OpenCL implementation of RMSDForce · 6e29cb3f
  peastman authored Jan 23, 2018
  
  6e29cb3f
22 Jan, 2018 1 commit
- Created RMSD force and reference implementation · dcd63214
  peastman authored Jan 22, 2018
  
  dcd63214
19 Jan, 2018 1 commit
- Merge pull request #1974 from agrossfield/master · 30d4a4bb
  peastman authored Jan 19, 2018
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allow the user to skip parameter condensing CHARMM parameters
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  30d4a4bb
18 Jan, 2018 2 commits
- removed default call to condense altogether · 80528f3b
  Alan Grossfield authored Jan 18, 2018
  
  80528f3b
- allow the user to skip parameter condensing · 75b8c17c
  Alan Grossfield authored Jan 18, 2018
  
  75b8c17c
12 Jan, 2018 1 commit
- LocalEnergyMinimizer switches to CPU if forces are getting clipped · 07d005fa
  peastman authored Jan 12, 2018
  
  07d005fa
08 Jan, 2018 2 commits
- Merge pull request #1967 from peastman/ff · 7164109e
  peastman authored Jan 08, 2018
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Added link to openmm-forcefields in the manual
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  7164109e
- Added link to openmm-forcefields in the manual · 914bf967
  peastman authored Jan 08, 2018
  
  914bf967
15 Dec, 2017 1 commit
- Merge pull request #1958 from peastman/windows · 9e73f72b
  peastman authored Dec 15, 2017
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Updated CUDA version in prepare script
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  9e73f72b
14 Dec, 2017 1 commit
- Updated CUDA version in prepare script · ba0a045e
  peastman authored Dec 14, 2017
  
  ba0a045e
12 Dec, 2017 2 commits
- Merge pull request #1957 from peastman/pdb · c0d7a45a
  peastman authored Dec 12, 2017
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Avoid truncating PDB file if the IDs are too long
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  c0d7a45a
- Avoid truncating PDB file if the IDs are too long · baab6f40
  peastman authored Dec 12, 2017
  
  baab6f40