Commits · de666e305b61a1cff0bfc7d7f51c23de5d13ff43 · tsoc / openmm

07 Feb, 2018 5 commits
- Fixed race condition · de666e30
  peastman authored Feb 07, 2018
  
  de666e30
- 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
- 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 2 commits
- 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
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
06 Dec, 2017 2 commits
- Merge pull request #1954 from peastman/globalparam · e1971877
  peastman authored Dec 06, 2017
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Improved documentation on how to set parameters
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  e1971877
- Improved documentation on how to set parameters · 46f889dd
  peastman authored Dec 05, 2017
  
  46f889dd
05 Dec, 2017 2 commits
- Merge pull request #1952 from peastman/docs · 357d66d2
  peastman authored Dec 05, 2017
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Documentation updates for 7.2
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  357d66d2
- Documentation updates for 7.2 · 1bcd08d7
  peastman authored Dec 05, 2017
  
  1bcd08d7
04 Dec, 2017 3 commits
- Merge pull request #1951 from andrrizzi/master · 0dab3e8f
  peastman authored Dec 04, 2017
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Fix Quantity.__setitem__ bug with slice assignment
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  0dab3e8f
- Merge pull request #1948 from Lnaden/bond_py27_pickle · 9c866ca1
  peastman authored Dec 04, 2017
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Fix Bond pickling in Python 2.7
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  9c866ca1
- Fix #1940: Bug in Quantity.__setitem__ when assigning slices · 6220775c
  Andrea Rizzi authored Dec 04, 2017
  
  6220775c
03 Dec, 2017 2 commits
- Merge pull request #1950 from jchodera/fix-references · 07c1b86c
  peastman authored Dec 03, 2017
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Eliminate stray non-ASCII characters from references.bib since this breaks sphinx
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  07c1b86c
- Remove stray comment · d41f419b
  John Chodera authored Dec 03, 2017
  
  d41f419b
01 Dec, 2017 2 commits
- Build sphinx PDF in travis test branch · 826ac7bc
  jchodera authored Dec 01, 2017
  
  826ac7bc
- Eliminate stray non-ASCII characters from references.bib since this breaks sphinx · 5e35cd7a
  jchodera authored Dec 01, 2017
  
  5e35cd7a