Commits · 3ec0d9060be0ea328c4ed8cef6d3a05ea5d06b33 · tsoc / openmm

01 Feb, 2011 1 commit
- Bug fix on AMD GPUs. · 3ec0d906
  Peter Eastman authored Feb 01, 2011
  
  3ec0d906
31 Jan, 2011 3 commits
- Fix for GbsaObc Born force w/ cutoffs · 9294047f
  Mark Friedrichs authored Jan 31, 2011
  
  9294047f
- Simplified constraint code. In the process, this fixed a bug that caused... · b9b7b40d
  Peter Eastman authored Jan 31, 2011
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Simplified constraint code.  In the process, this fixed a bug that caused bubbles to appear in water when running on Fermi GPUs.
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  b9b7b40d
- Fix for Born force calculation when cutoffs are applied · a161d091
  Mark Friedrichs authored Jan 31, 2011
  
  a161d091
26 Jan, 2011 4 commits
- Signs on torque for ZBisect inverted · e772c611
  Mark Friedrichs authored Jan 26, 2011
  
  e772c611
- Removed System from header file for AmoebaOpenMM; overlapped w/ one from OpenMM · 1c094341
  Mark Friedrichs authored Jan 26, 2011
  
  1c094341
- Sign reversed on WcaDispersionForce forces; removed logging from MultipoleForce · 80a1d9e0
  Mark Friedrichs authored Jan 26, 2011
  
  80a1d9e0
- Fix to chirla check kernel · dcf76e73
  Mark Friedrichs authored Jan 26, 2011
  
  dcf76e73
25 Jan, 2011 2 commits
- Fixed problem w/ setting of bond offsets · b089a3a1
  Mark Friedrichs authored Jan 25, 2011
  
  b089a3a1
- Sign on torques was reversed for z-then-x · a82b4e4a
  Mark Friedrichs authored Jan 25, 2011
  
  a82b4e4a
21 Jan, 2011 1 commit
- Fix for torsion torsion initialization · 475f52cb
  Mark Friedrichs authored Jan 21, 2011
  
  475f52cb
20 Jan, 2011 3 commits
- Mods to output of forces · 0d1d98ce
  Mark Friedrichs authored Jan 20, 2011
  
  0d1d98ce
- Warp/non-warp calls were reversed in kCalculateAmoebaCudaKirkwood · 132a94bc
  Mark Friedrichs authored Jan 20, 2011
  
  132a94bc
- Fixed compilation error · 07f8d5ce
  Peter Eastman authored Jan 20, 2011
  
  07f8d5ce
19 Jan, 2011 1 commit
- Fix for Linux debug build · dfe1f798
  Mark Friedrichs authored Jan 19, 2011
  
  dfe1f798
18 Jan, 2011 3 commits
- Fixed problems on compute level 1.2 GPUs · 81cd9f5f
  Peter Eastman authored Jan 18, 2011
  
  81cd9f5f
- Remove install of SerializationNode.h SerializationProxy.h XmlSerializer.h · ff5f5d5a
  Mark Friedrichs authored Jan 18, 2011
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Moved installation of lib file to plugin directory 
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  ff5f5d5a
- Remove install of SerializationNode.h SerializationProxy.h and XmlSerializer.h · 5499544f
  Mark Friedrichs authored Jan 18, 2011
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Move install of AmoebaSerialization lib to plugin directory
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  5499544f
14 Jan, 2011 1 commit
- Mods to get compilation on Windows · 56e573e7
  Mark Friedrichs authored Jan 14, 2011
  
  56e573e7
13 Jan, 2011 2 commits
- Fixed bug in evaluating tabulated functions · 3c16ceff
  Peter Eastman authored Jan 13, 2011
  
  3c16ceff
- Adding wrappers · a6370f58
  Mark Friedrichs authored Jan 13, 2011
  
  a6370f58
11 Jan, 2011 1 commit
- edit/add AMOEBA serialization proxies · 1877eb67
  Mark Friedrichs authored Jan 11, 2011
  
  1877eb67
10 Jan, 2011 4 commits
- Rename file · 67971bf4
  Mark Friedrichs authored Jan 10, 2011
  
  67971bf4
- More serialization proxies · cf3d54fc
  Mark Friedrichs authored Jan 10, 2011
  
  cf3d54fc
- More serialization proxies and associated tests · 3c3df452
  Mark Friedrichs authored Jan 10, 2011
  
  3c3df452
- Bug fix when running on CPU · b549b66f
  Peter Eastman authored Jan 10, 2011
  
  b549b66f
07 Jan, 2011 2 commits
- Initial serialization proxies for Amoeba · 217b45d3
  Mark Friedrichs authored Jan 07, 2011
  
  217b45d3
- Renamed OpenMMAmoeba,h to AmoebaOpenMM for consistency w/ other plugin · b90e80ff
  Mark Friedrichs authored Jan 07, 2011
  
  b90e80ff
06 Jan, 2011 1 commit
- Set enum values -- needed for pyopenmm(?) · 8928a337
  Mark Friedrichs authored Jan 06, 2011
  
  8928a337
05 Jan, 2011 4 commits
- Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be... · 4c87fcab
  Mark Friedrichs authored Jan 05, 2011
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Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be consistent w/ outlay other plugins, ...
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  4c87fcab
- Fixed bug in direct PME · 4d763c4d
  Mark Friedrichs authored Jan 05, 2011
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Added diagnostics for handling reorder of atoms
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  4d763c4d
- Change to device selection code suggested by Mike Houston · 8b8defe8
  Peter Eastman authored Jan 05, 2011
  
  8b8defe8
- Fixed a bus error when the neighbor list size changes · 81cc37f3
  Peter Eastman authored Jan 05, 2011
  
  81cc37f3
04 Jan, 2011 2 commits
- Updated Amoeba plugin based on refactoring of reference platform · 93900ab2
  Peter Eastman authored Jan 04, 2011
  
  93900ab2
- Continuing refactoring of the reference platform · c27f5d1f
  Peter Eastman authored Jan 04, 2011
  
  c27f5d1f
03 Jan, 2011 1 commit
- First stage of a refactoring to clean up the reference platform · 0843c5f3
  Peter Eastman authored Jan 03, 2011
  
  0843c5f3
14 Dec, 2010 1 commit
- Added missing N2ByWarp calls · bacc1eff
  Mark Friedrichs authored Dec 14, 2010
  
  bacc1eff
13 Dec, 2010 1 commit
- Debye constant was set for kcal/A units; updated to kJ/nm units · ce0cc4e0
  Mark Friedrichs authored Dec 13, 2010
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Bug in Urey-Bradley force calculation fixed
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  ce0cc4e0
10 Dec, 2010 1 commit
- Fixed bug in Vdw w/o cutoffs if bOutputBufferPerWarp is set · 1b5ee8f9
  Mark Friedrichs authored Dec 10, 2010
  
  1b5ee8f9
04 Dec, 2010 1 commit
- Eliminated local memory bank conflicts · db8a55b3
  Peter Eastman authored Dec 04, 2010
  
  db8a55b3