Commits · ccc0ba85e2b1964d048d7047661c414f421dd563 · tsoc / openmm

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
27 Oct, 2011 2 commits
- Continuing to write application guide · a9a74ff8
  Peter Eastman authored Oct 27, 2011
  
  a9a74ff8
- Added OpenCLPlatformIndex property for selecting platform · 6660be2f
  Peter Eastman authored Oct 27, 2011
  
  6660be2f
26 Oct, 2011 3 commits
- Moved gpuSetNonbondedSoftcoreParameters() to freeEnergyCudaGpu.cpp · 0308dbf8
  Mark Friedrichs authored Oct 26, 2011
  
  0308dbf8
- Added missing iostream header · 2c708e02
  Mark Friedrichs authored Oct 26, 2011
  
  2c708e02
- Began updating manual for 4.0. · 8960d7b2
  Peter Eastman authored Oct 26, 2011
  
  8960d7b2
25 Oct, 2011 8 commits
- Workaround for crash on AMD GPUs · 028ad9d0
  Peter Eastman authored Oct 25, 2011
  
  028ad9d0
- Minor bug fix · 2cf8711f
  Peter Eastman authored Oct 25, 2011
  
  2cf8711f
- Temp fix for tempBuffers used w/ cutoffs · efe4025d
  Mark Friedrichs authored Oct 25, 2011
  
  efe4025d
- Clean code and several bug fixes to GB/VI and Obc for nonbonded methods w/ cutoffs · b9d12c46
  Mark Friedrichs authored Oct 25, 2011
  
  b9d12c46
- More changes from Tony to reduce local memory use · ce74c6ae
  Peter Eastman authored Oct 25, 2011
  
  ce74c6ae
- GBSA OBC thread block size now based in part on available shared memory · 3f64d970
  Mark Friedrichs authored Oct 25, 2011
  
  3f64d970
- Threads per block for GB/VI kernels take into account required shared memory · 09c1460d
  Mark Friedrichs authored Oct 25, 2011
```
Padded atom entries in Born radii memory now initialized to zero
launch bounds guards now included for several kernels
```
  09c1460d
- Fix for GB/VI · dbea5152
  Mark Friedrichs authored Oct 25, 2011
  
  dbea5152
24 Oct, 2011 3 commits
- Edited and commented on draft · 805d4144
  Joy Ku authored Oct 24, 2011
  
  805d4144
- Removed diagnostic message · 2188d92a
  Mark Friedrichs authored Oct 24, 2011
  
  2188d92a
- Mods for additions/deletions to free energy plugin interface · 5baba853
  Mark Friedrichs authored Oct 24, 2011
  
  5baba853