Commits · 7b5344db185f90f57b0f781e68b6b6b5dd88334b · tsoc / openmm

11 Nov, 2011 6 commits
- Bug fix to the previous commit · 7b5344db
  Peter Eastman authored Nov 11, 2011
  
  7b5344db
- Change to build correctly on Lion. Also, build Python by default. · 8ec95df6
  Peter Eastman authored Nov 11, 2011
  
  8ec95df6
- Workaround for compiler bug on Lion · 31748d0b
  Peter Eastman authored Nov 11, 2011
  
  31748d0b
- Corrected units · fd233276
  Mark Friedrichs authored Nov 11, 2011
  
  fd233276
- Added missing OBC parameters · 0594d303
  Peter Eastman authored Nov 11, 2011
  
  0594d303
- Bug fix · 3685f2f3
  Peter Eastman authored Nov 11, 2011
  
  3685f2f3
10 Nov, 2011 6 commits
- Changed default scaling method for GB/VI Born radii calculation to QuinticSpline · bd8c49de
  Mark Friedrichs authored Nov 10, 2011
  
  bd8c49de
- Removed debug code · 032e18de
  Mark Friedrichs authored Nov 10, 2011
```
In Born radii calculation for particle i, removed factor of lambda associated w/ particle i
```
  032e18de
- Edited discussion of AMOBEA nonbonded methods · 076eb95e
  Mark Friedrichs authored Nov 10, 2011
```
Removed mention of separate AMOEBA water file
```
  076eb95e
- Lots of updates based on Joy's comments · 691a45f1
  Peter Eastman authored Nov 10, 2011
  
  691a45f1
- Fixed lots of warnings and errors on Lion · 03a5288d
  Peter Eastman authored Nov 10, 2011
  
  03a5288d
- 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 1 commit
- Fixed bugs in CPU version of PME · bc961dd3
  Peter Eastman authored Nov 04, 2011
  
  bc961dd3