Commits · 55678aa13f1eb27c313383a5d982f6f46ccd5bea · tsoc / openmm

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
21 Apr, 2010 1 commit
- Install directory now looks much more like actual OpenMM releases. · f7c92bbd
  Christopher Bruns authored Apr 21, 2010
  
  f7c92bbd
19 Apr, 2010 1 commit
- Default building of CUDA free energy plugin to "OFF" if cuda was not found. · 86f95f4c
  Christopher Bruns authored Apr 19, 2010
  
  86f95f4c
14 Apr, 2010 1 commit

Refactored cmake build system to use just one FindCUDA.cmake, under cmake_modules subdirectory, · 68c89df6

Christopher Bruns authored Apr 14, 2010

based on the FindCUDA.cmake that was in the platforms/cuda/cuda-make directory.
Setting of CUDA_NVCC_FLAGS is now in top-level CMakeLists.txt, in case I ever figure out how
to get this working with the cmake 2.8 installed system version of FindCUDA.cmake.
Before this change, there were three separate FindCUDA.cmake areas. Now there is just one.

68c89df6