Commits · 72d6b6a90dac6f459516c22f4551ca6991d845b3 · tsoc / openmm

31 Jan, 2012 1 commit
- LocalEnergyMinimizer works with virtual sites · f30ddfa4
  Peter Eastman authored Jan 31, 2012
  
  f30ddfa4
20 Jul, 2010 1 commit
- Created CUDA implementation of CMAPTorsionForce · 2a313e48
  Peter Eastman authored Jul 20, 2010
  
  2a313e48
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
04 Jun, 2010 1 commit
- Added Window's dll exports for methods used by Amoeba · 3f2acaf0
  Mark Friedrichs authored Jun 04, 2010
  
  3f2acaf0
21 May, 2010 2 commits
- Fix to inadvertent checkin · e1a1a3a9
  Mark Friedrichs authored May 21, 2010
  
  e1a1a3a9
- Update · 62cf5c93
  Mark Friedrichs authored May 21, 2010
  
  62cf5c93
15 May, 2010 1 commit
- Created CUDA implementation of MonteCarloBarostat · 607f2b6a
  Peter Eastman authored May 15, 2010
  
  607f2b6a
02 Feb, 2010 1 commit
- Created CUDA implementation of CustomTorsionForce · 35c67140
  Peter Eastman authored Feb 02, 2010
  
  35c67140
29 Jan, 2010 1 commit
- Created CUDA version of CustomAngleForce · 99aad671
  Peter Eastman authored Jan 29, 2010
  
  99aad671
17 Nov, 2009 1 commit
- Created CUDA implementation of CustomExternalForce · 77d3b647
  Peter Eastman authored Nov 17, 2009
  
  77d3b647
12 Nov, 2009 1 commit
- Created CUDA implementation of CustomBondForce · bcbd7dc1
  Peter Eastman authored Nov 12, 2009
  
  bcbd7dc1
03 Nov, 2009 1 commit

Mark Friedrichs authored Nov 03, 2009

Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail

7a36f461

22 Sep, 2009 1 commit
- Eliminated Stream and related classes, replacing their functionality with UpdateStateDataKernel. · f5aebbd4
  Peter Eastman authored Sep 22, 2009
  
  f5aebbd4
19 Sep, 2009 1 commit
- Restructured how force and energy computations are done to make it easier to... · 25af59f8
  Peter Eastman authored Sep 19, 2009
```
Restructured how force and energy computations are done to make it easier to write plugins for the CUDA platform
```
  25af59f8
06 Aug, 2009 1 commit
- Began CUDA implementation of CustomNonbondedForce · c9bf6eee
  Peter Eastman authored Aug 06, 2009
  
  c9bf6eee
17 Jul, 2009 1 commit
- Created CUDA implementation of VariableLangevinIntegrator · bc00090d
  Peter Eastman authored Jul 17, 2009
  
  bc00090d
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
26 Jun, 2009 1 commit
- Created CUDA implementation of VariableVerletIntegrator · a1b2fd30
  Peter Eastman authored Jun 26, 2009
  
  a1b2fd30
18 Jun, 2009 1 commit
- API changes to support variable time step integrators · da52d3ae
  Peter Eastman authored Jun 18, 2009
  
  da52d3ae
14 May, 2009 1 commit
- Updated license for Cuda platform to LGPL. · 10379a9a
  Peter Eastman authored May 14, 2009
  
  10379a9a
22 Apr, 2009 1 commit
- Fixed a compilation error under Windows · 351563b5
  Peter Eastman authored Apr 22, 2009
  
  351563b5
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
19 Nov, 2008 1 commit
- Optimization: introduced a kernel to clear forces at the start of each time... · d279014c
  Peter Eastman authored Nov 19, 2008
```
Optimization: introduced a kernel to clear forces at the start of each time step rather than relying on the stream
```
  d279014c
29 Oct, 2008 2 commits
- Renamed GBSAOBCForceField to GBSAOBCForce. · 3c100e69
  Peter Eastman authored Oct 29, 2008
  
  3c100e69
- Created Cuda implementation of AndersenThermostat. Tweaked test cases for BrownianIntegrator. · 1b2ebaf0
  Peter Eastman authored Oct 29, 2008
  
  1b2ebaf0
28 Oct, 2008 1 commit
- Created Cuda implementation of VerletIntegrator · fc973cdc
  Peter Eastman authored Oct 28, 2008
  
  fc973cdc
27 Oct, 2008 1 commit
- Created Cuda implementation of BrownianIntegrator · 39557436
  Peter Eastman authored Oct 27, 2008
  
  39557436
22 Oct, 2008 1 commit
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
15 Oct, 2008 1 commit
- Finished incorporating Cuda code into OpenMM · 099b8e55
  Peter Eastman authored Oct 15, 2008
  
  099b8e55
11 Oct, 2008 1 commit
- Incorporating Cuda code into OpenMM · 5c4a033f
  Peter Eastman authored Oct 11, 2008
  
  5c4a033f
14 Aug, 2008 1 commit
- Continuing implementation of Cuda platform · ff88ddad
  Peter Eastman authored Aug 14, 2008
  
  ff88ddad
04 Jun, 2008 1 commit
- Began implementing CudaPlatform · 74a8266f
  Peter Eastman authored Jun 04, 2008
  
  74a8266f
16 May, 2008 1 commit
- Implemented center of mass motion removal for OpenMM · 0b662b49
  Peter Eastman authored May 16, 2008
  
  0b662b49
22 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (kernels for StandardMMForceField are done). · 2a530882
  Peter Eastman authored Apr 22, 2008
  
  2a530882
19 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform · 012b28e6
  Peter Eastman authored Apr 19, 2008
  
  012b28e6
18 Apr, 2008 1 commit
- Began implementing ReferencePlatform · e561a678
  Peter Eastman authored Apr 18, 2008
  
  e561a678
17 Apr, 2008 1 commit

Created a test case for StandardMMForceFieldImpl's findExclusions() method. ... · 27a2456b

Peter Eastman authored Apr 17, 2008

Created a test case for StandardMMForceFieldImpl's findExclusions() method.  Fixed some bugs that it found.  Created a CMake script and configured it for building and running test cases.

27a2456b

16 Apr, 2008 1 commit
- Reorganization of the OpenMM source code · 0e879806
  Peter Eastman authored Apr 16, 2008
  
  0e879806