Commits · 09c1460d1c2b3bba2221fbb3099b6f96abfdd14d · tsoc / openmm

25 Oct, 2011 1 commit
- 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
24 Oct, 2011 2 commits
- Removed diagnostic message · 2188d92a
  Mark Friedrichs authored Oct 24, 2011
  
  2188d92a
- Extened Free energy plugin to allow cutoffs; cleaned up code and added tests · bc85b9f0
  Mark Friedrichs authored Oct 24, 2011
  
  bc85b9f0
19 Oct, 2011 1 commit
- Removed unused parameters · 55678aa1
  Mark Friedrichs authored Oct 19, 2011
  
  55678aa1
06 Oct, 2011 1 commit
- Add unit test for NonbondedSoftcoreForce · 9dd055eb
  Mark Friedrichs authored Oct 06, 2011
```
Cleanup code associated w/ NonbondedSoftcoreForce
```
  9dd055eb
05 Oct, 2011 5 commits
- Minor mods · a587c652
  Mark Friedrichs authored Oct 05, 2011
  
  a587c652
- Cosmetic changes · 7f561d68
  Mark Friedrichs authored Oct 05, 2011
  
  7f561d68
- Add TestReferenceOBCSoftcoreForce · b64535d8
  Mark Friedrichs authored Oct 05, 2011
  
  b64535d8
- Mods for OBCSoftcore · 1d11610b
  Mark Friedrichs authored Oct 05, 2011
  
  1d11610b
- Code cleanup · 6718e0cc
  Mark Friedrichs authored Oct 05, 2011
  
  6718e0cc
04 Oct, 2011 2 commits
- Interface change for computeBornRadii() method · 1079a319
  Mark Friedrichs authored Oct 04, 2011
  
  1079a319
- Cleaned up code · 4d499572
  Mark Friedrichs authored Oct 04, 2011
  
  4d499572
27 Sep, 2011 1 commit
- Fixed errors in plugin initializers · c9d448c6
  Peter Eastman authored Sep 27, 2011
  
  c9d448c6
09 Aug, 2011 1 commit
- Added missing lambda factor in second OBC force loop of free energy plugin · 2141605b
  Mark Friedrichs authored Aug 09, 2011
  
  2141605b
04 Aug, 2011 1 commit
- Missing parameter · c5e909d4
  Mark Friedrichs authored Aug 04, 2011
  
  c5e909d4
03 Aug, 2011 1 commit
- Classes for FreeEnergy plugin serialization · eafdce76
  Mark Friedrichs authored Aug 03, 2011
  
  eafdce76
27 Jul, 2011 1 commit
- Mods to fix problem w/ base class method computeBornRadii() being called when PyOpenMM is run · 6b18ecfa
  Mark Friedrichs authored Jul 27, 2011
  
  6b18ecfa
17 Jun, 2011 1 commit
- Add switch for GB/VI Born radi calculation · 3ed430c5
  Mark Friedrichs authored Jun 17, 2011
  
  3ed430c5
26 Mar, 2011 1 commit
- Added missing registerPlatforms() functions to plugins · c2fd9512
  Peter Eastman authored Mar 26, 2011
  
  c2fd9512
22 Mar, 2011 1 commit
- Trying to use an Integrator for multiple Contexts produces an exception · 7d4b549d
  Peter Eastman authored Mar 22, 2011
  
  7d4b549d
21 Mar, 2011 1 commit
- Include files for gcc 4.3 · 1e063047
  Mark Friedrichs authored Mar 21, 2011
  
  1e063047
17 Mar, 2011 1 commit
- Further cleanup to reference platform - mostly deleting lots of unnecessary "default return" values · 8086b201
  Peter Eastman authored Mar 17, 2011
  
  8086b201
11 Mar, 2011 1 commit
- Fixed compilation errors on Windows · ee78f1e7
  Peter Eastman authored Mar 11, 2011
  
  ee78f1e7
03 Mar, 2011 1 commit
- Modified number of threeads used in Born sum reduction · c7a1ae89
  Mark Friedrichs authored Mar 03, 2011
  
  c7a1ae89
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6
23 Feb, 2011 1 commit
- Build universal binaries on OS X · abb19052
  Peter Eastman authored Feb 23, 2011
  
  abb19052
05 Jan, 2011 1 commit
- Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be... · 4c87fcab
  Mark Friedrichs authored Jan 05, 2011
```
Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be consistent w/ outlay other plugins, ...
```
  4c87fcab
04 Jan, 2011 1 commit
- 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
12 Aug, 2010 1 commit

Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes... · a711ce2a

Peter Eastman authored Aug 12, 2010

Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes to avoid redundant calculations when requesting a State with both forces and energies

a711ce2a

03 Aug, 2010 1 commit
- Added #include <cstdio>' to fix problem w/ stderr not being found w/ gcc 4.4 · c9b1338b
  Mark Friedrichs authored Aug 03, 2010
  
  c9b1338b
21 Jul, 2010 1 commit
- Simplified reference code for accumulating energies · 5003591d
  Peter Eastman authored Jul 21, 2010
  
  5003591d
15 Jul, 2010 1 commit
- Install FreeEnergy plugin (Reference version) to the plugins directory. · e4ca66e4
  Christopher Bruns authored Jul 15, 2010
```
Note that I'm also modifying pyopenmm to be aware of this change.
```
  e4ca66e4
29 Jun, 2010 1 commit
- Added static to __device__ declarations to allow compilation w/ CUDA 3.1 · 2833fb44
  Mark Friedrichs authored Jun 29, 2010
  
  2833fb44
01 Jun, 2010 1 commit
- Updated for recent changes to CMake scripts · 274842f3
  Peter Eastman authored Jun 01, 2010
  
  274842f3
21 May, 2010 1 commit
- Removed test · bba5e3cd
  Mark Friedrichs authored May 21, 2010
  
  bba5e3cd
14 May, 2010 1 commit
- Removed sfmt.h include · dc0e00de
  Mark Friedrichs authored May 14, 2010
  
  dc0e00de
13 May, 2010 1 commit
- Removed isNotReady() method · 2d9c3255
  Mark Friedrichs authored May 13, 2010
  
  2d9c3255
10 May, 2010 2 commits
- changed in for SFMT.h to new location · 12a0e2c4
  Mark Friedrichs authored May 10, 2010
  
  12a0e2c4
- Updated to use new API · ebdb2ef3
  Peter Eastman authored May 10, 2010
  
  ebdb2ef3