Commits · dbccf50f781c9ae34b27e6663fa3c4968196f01c · tsoc / openmm

10 Nov, 2011 1 commit
- Fix for OBC Born sum · dbccf50f
  Mark Friedrichs authored Nov 10, 2011
  
  dbccf50f
09 Nov, 2011 4 commits
- Added diagnostic method to GBVI · f0cfae42
  Mark Friedrichs authored Nov 09, 2011
  
  f0cfae42
- Adjustment to cutoff for unit test; also rename TestCudaOBCForce2 to TestCudaGBSAOBCForce2 · 65f9d47e
  Mark Friedrichs authored Nov 09, 2011
  
  65f9d47e
- Added unit tests for nonbonded, OBC, and GBVI forces · 6e837d76
  Mark Friedrichs authored Nov 09, 2011
  
  6e837d76
- Cleanup GBVI code · d8d1e0f3
  Mark Friedrichs authored Nov 09, 2011
  
  d8d1e0f3
08 Nov, 2011 11 commits
- Added missing include file · 65f48926
  Mark Friedrichs authored Nov 08, 2011
  
  65f48926
- Applied rev 3035 fix for OpenCL OBC Born to all code blocks · 9425210a
  Mark Friedrichs authored Nov 08, 2011
  
  9425210a
- Cleanup · a955feb1
  Mark Friedrichs authored Nov 08, 2011
  
  a955feb1
- Throw an exception if RPMDIntegrator is used with constraints · 8217295b
  Peter Eastman authored Nov 08, 2011
  
  8217295b
- Minor edits · c9bb9746
  Mark Friedrichs authored Nov 08, 2011
  
  c9bb9746
- Bug fixes for Nvidia OBC · b3dbaeaa
  Mark Friedrichs authored Nov 08, 2011
  
  b3dbaeaa
- Removed reference to amoeba_water.xml · 3a55714e
  Mark Friedrichs authored Nov 08, 2011
  
  3a55714e
- Included AMOEBA implicit solvent example/options · 40f02bd9
  Mark Friedrichs authored Nov 08, 2011
  
  40f02bd9
- Added data files that missed getting checked in · af5c8bb4
  Peter Eastman authored Nov 08, 2011
  
  af5c8bb4
- Cleanup of code formatting · c6e315a6
  Peter Eastman authored Nov 08, 2011
  
  c6e315a6
- Merged a change that Mark checked into the pyopenmm repository after the app had already been moved · 1d2c0a03
  Peter Eastman authored Nov 08, 2011
  
  1d2c0a03
07 Nov, 2011 8 commits
- Moved OpenMM app into the main OpenMM project · ccc0ba85
  Peter Eastman authored Nov 07, 2011
  
  ccc0ba85
- Joy's edits · 7bf291e0
  Joy Ku authored Nov 07, 2011
  
  7bf291e0
- Added documentation for nonbonded ixns/induced dipoles specific to AMOEBA · 55190bff
  Mark Friedrichs authored Nov 07, 2011
  
  55190bff
- Updated developer guide for 4.0. · d274d65b
  Peter Eastman authored Nov 07, 2011
  
  d274d65b
- Added preprocessor option OPENMMCUDA_BUILDING_SHARED_LIBRARY for Windows compilation · 30d336f1
  Mark Friedrichs authored Nov 07, 2011
  
  30d336f1
- Added OPENMMCUDA_EXPORT to several Cuda platform methods used by free energy plugin · 26a489d5
  Mark Friedrichs authored Nov 07, 2011
  
  26a489d5
- Added section describing free energy plugin · 1b4e96da
  Mark Friedrichs authored Nov 07, 2011
```
Removed benchmark sections
Modified page numbering for Part I, Sections 8,9 from Roman numerals to decimal values
```
  1b4e96da
- Fixed error in comment · e9f6e1bf
  Peter Eastman authored Nov 07, 2011
  
  e9f6e1bf
05 Nov, 2011 4 commits
- Removed unused accessor calls · b54f589b
  Mark Friedrichs authored Nov 05, 2011
  
  b54f589b
- Removed unused accessors · e7c3e2af
  Mark Friedrichs authored Nov 05, 2011
  
  e7c3e2af
- Remove commented out declarations · a3bbd5aa
  Mark Friedrichs authored Nov 05, 2011
  
  a3bbd5aa
- Removed unused accessors; set missing initializations in AmoebaVdwForce · 0a55d72f
  Mark Friedrichs authored Nov 05, 2011
  
  0a55d72f
04 Nov, 2011 4 commits
- Fixed bugs in CPU version of PME · bc961dd3
  Peter Eastman authored Nov 04, 2011
  
  bc961dd3
- Fixed bugs in CPU version of FFT · cb388aca
  Peter Eastman authored Nov 04, 2011
  
  cb388aca
- Fixed bugs in CPU version of Custom GB · 52a6a366
  Peter Eastman authored Nov 04, 2011
  
  52a6a366
- Fixed bug in CPU version of GBSA · 600a7afa
  Peter Eastman authored Nov 04, 2011
  
  600a7afa
03 Nov, 2011 1 commit
- Added volatile keywords to work correctly with CUDA 4.1 · ad2d5c0a
  Peter Eastman authored Nov 03, 2011
  
  ad2d5c0a
02 Nov, 2011 5 commits
- Updated version number to 4.0 · 0abe528f
  Peter Eastman authored Nov 02, 2011
  
  0abe528f
- Further updates to application guide · fd0060da
  Peter Eastman authored Nov 02, 2011
  
  fd0060da
- Correction to the previous optimization · 5a946c29
  Peter Eastman authored Nov 02, 2011
  
  5a946c29
- Eliminated some duplicated work · 7e544edd
  Peter Eastman authored Nov 02, 2011
  
  7e544edd
- Fixed some incorrect argument indices · 63819881
  Peter Eastman authored Nov 02, 2011
  
  63819881
01 Nov, 2011 1 commit
- Application guide is mostly complete (exception installation section) · 358ce20f
  Peter Eastman authored Nov 01, 2011
  
  358ce20f
29 Oct, 2011 1 commit
- Continuing to write application guide · 271dadf6
  Peter Eastman authored Oct 29, 2011
  
  271dadf6