Commits · 9b9002c7d690430d389c7dd2eedb5996edf8c0d2 · tsoc / openmm

27 Jun, 2016 1 commit
- Fixed energy error for Drude particle at same location as its parent atom · 9b9002c7
  Peter Eastman authored Jun 27, 2016
  
  9b9002c7
24 Jun, 2016 1 commit
- Merge pull request #1521 from peastman/lj · e82225da
  peastman authored Jun 24, 2016
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<LennardJonesForce> tag in force fields
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  e82225da
22 Jun, 2016 4 commits
- Bug fix · 0cd624be
  peastman authored Jun 22, 2016
  
  0cd624be
- Bug fixes and cleanup to LennardJonesGenerator · 861387aa
  peastman authored Jun 22, 2016
  
  861387aa
- Merge branch 'nbfix' of https://github.com/ChayaSt/openmm into lj · 2523d0cd
  peastman authored Jun 22, 2016
  
  2523d0cd
- Merge pull request #1520 from peastman/mtserror · fe1ba843
  peastman authored Jun 21, 2016
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Fixed an exception with Python 3
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  fe1ba843
21 Jun, 2016 4 commits
- Fixed an exception with Python 3 · a2ef6f63
  peastman authored Jun 21, 2016
  
  a2ef6f63
- Merge pull request #1519 from peastman/water · a3af2819
  peastman authored Jun 21, 2016
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Fixed an exception in addSolvent()
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  a3af2819
- Merge pull request #1518 from peastman/appveyor · 4e6e8ba3
  peastman authored Jun 21, 2016
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Fix OpenCL on AppVeyor
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  4e6e8ba3
- Fixed an exception in addSolvent() · e8c3eab0
  peastman authored Jun 21, 2016
  
  e8c3eab0
20 Jun, 2016 5 commits
- Fixed compilation errors on Windows · b518ad19
  peastman authored Jun 20, 2016
  
  b518ad19
- Corrected path to download icd · 2b3e7d7a
  peastman authored Jun 20, 2016
  
  2b3e7d7a
- Fix OpenCL on AppVeyor · 48e55c59
  peastman authored Jun 20, 2016
  
  48e55c59
- Merge pull request #1453 from peastman/patches · d4d25d46
  peastman authored Jun 20, 2016
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Support patches in force fields
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  d4d25d46
- Merge pull request #1517 from peastman/drude · ba686094
  peastman authored Jun 20, 2016
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DrudeLangevinIntegrator was not disabling hardwall constraint for maxDistance=0
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  ba686094
18 Jun, 2016 1 commit
- DrudeLangevinIntegrator was not disabling hardwall constraint for maxDistance=0 · 8494cb74
  Peter Eastman authored Jun 17, 2016
  
  8494cb74
16 Jun, 2016 2 commits
- Merge pull request #1516 from peastman/mpi · 4daf8d5d
  peastman authored Jun 16, 2016
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Fixed compilation error on Windows
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  4daf8d5d
- Fixed compilation error on Windows · 4cf59381
  peastman authored Jun 16, 2016
  
  4cf59381
15 Jun, 2016 2 commits
- Merge pull request #1514 from peastman/fastmatching · 88f19a95
  peastman authored Jun 15, 2016
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Improved speed of template matching
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  88f19a95
- Improved speed of template matching · 54c96a2c
  peastman authored Jun 15, 2016
  
  54c96a2c
08 Jun, 2016 2 commits
- Merge pull request #1512 from swails/fixdcd · ada8f2ee
  peastman authored Jun 08, 2016
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Fix periodic box vector writing in the DCD reporter
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  ada8f2ee
- Fix periodic box vector writing in the DCD reporter · 8c27e63e
  Jason Swails authored Jun 07, 2016
  
  8c27e63e
07 Jun, 2016 1 commit
- Merge pull request #1509 from peastman/nan · bf11baa7
  peastman authored Jun 07, 2016
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Fixed error with PME when particles are exactly on top of each other
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  bf11baa7
06 Jun, 2016 2 commits
- Fixed error with PME when particles are exactly on top of each other · 04165dc1
  peastman authored Jun 06, 2016
  
  04165dc1
- Merge pull request #1508 from peastman/checkpoint · 88eee8cd
  peastman authored Jun 06, 2016
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Fixed incorrect checkpointing of reference random number generator
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  88eee8cd
03 Jun, 2016 1 commit
- Fixed incorrect checkpointing of reference random number generator · 813275a0
  peastman authored Jun 03, 2016
  
  813275a0
31 May, 2016 3 commits
- using sigma instead of rmin · 03e33772
  ChayaSt authored May 31, 2016
  
  03e33772
- resolved conflict · 73183c61
  ChayaSt authored May 31, 2016
  
  73183c61
- cleanup · 0e218233
  ChayaSt authored May 31, 2016
  
  0e218233
26 May, 2016 3 commits
- Merge pull request #1500 from peastman/version · 32e08b87
  peastman authored May 26, 2016
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Platform::getOpenMMVersion() includes patch version
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  32e08b87
- Merge pull request #1499 from peastman/reallocneighbors · 6c6d68d2
  peastman authored May 26, 2016
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Improved method for resizing neighbor list
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  6c6d68d2
- Platform::getOpenMMVersion() includes patch version · 086501a7
  peastman authored May 26, 2016
  
  086501a7
25 May, 2016 1 commit
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1
20 May, 2016 1 commit
- Merge pull request #1495 from peastman/tablelimit · c2be00a6
  peastman authored May 20, 2016
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Fixed edge case with 2D and 3D continuous functions
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  c2be00a6
19 May, 2016 1 commit
- Fixed edge case with 2D and 3D continuous functions · ae5c9a1d
  Peter Eastman authored May 19, 2016
  
  ae5c9a1d
16 May, 2016 1 commit
- Merge pull request #1487 from peastman/triclinic · 96a37423
  peastman authored May 15, 2016
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Fixed bug in PME with triclinic boxes
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  96a37423
13 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · e1181999
  Peter Eastman authored May 13, 2016
  
  e1181999
11 May, 2016 3 commits
- Fixed bug in PME with triclinic boxes · fcbee6a5
  Peter Eastman authored May 11, 2016
  
  fcbee6a5
- Merge pull request #1484 from swails/gbneck_errchk · 244dd6d7
  peastman authored May 11, 2016
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Fix error check for GBneck parameters
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  244dd6d7
- Fix tests. · 484d5c7e
  Jason Swails authored May 10, 2016
  
  484d5c7e