Commits · 3db6b8ee835b5f43411d1c60e746b3df1a8565e2 · tsoc / openmm

09 Dec, 2014 1 commit
- Implemented PME for triclinic boxes in reference platform · 9c6011f8
  peastman authored Dec 09, 2014
  
  9c6011f8
03 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in reference platform · 9e2b5a12
  peastman authored Dec 02, 2014
  
  9e2b5a12
02 Dec, 2014 1 commit
- Began implementing triclinic boxes in reference platform · e2977b91
  peastman authored Dec 02, 2014
  
  e2977b91
13 Oct, 2014 1 commit
- GBSAOBCForce allows the surface area energy to be changed · 34a604b8
  peastman authored Oct 13, 2014
  
  34a604b8
29 Aug, 2014 1 commit
- CustomManyParticleForce offers two different "permutation modes". Implemented... · f5acdd7a
  peastman authored Aug 28, 2014
```
CustomManyParticleForce offers two different "permutation modes".  Implemented it for Reference and CPU platforms.
```
  f5acdd7a
13 Aug, 2014 1 commit
- Continuing to implement CPU version of CustomManyParticleForce · 1bc8e327
  peastman authored Aug 13, 2014
  
  1bc8e327
07 Aug, 2014 1 commit
- Finished reference implementation of CustomManyParticleForce · 0ca8bdee
  peastman authored Aug 06, 2014
  
  0ca8bdee
06 Aug, 2014 1 commit
- Continuing to create reference implementation of CustomManyParticleForce · b6e65ad6
  peastman authored Aug 06, 2014
  
  b6e65ad6
05 Aug, 2014 1 commit
- Began implementing CustomManyParticleForce · e1a378b7
  peastman authored Aug 05, 2014
  
  e1a378b7
05 Apr, 2014 1 commit
- Typo fix (represnted -> represented) and remove the execution permission bit · f716900a
  Jason Swails authored Apr 05, 2014
```
from all .cpp and .h files.
```
  f716900a
18 Mar, 2014 1 commit
- Fixed compilation errors on Windows, plus an error in a test case · e8718a1f
  Peter Eastman authored Mar 18, 2014
  
  e8718a1f
30 Jan, 2014 1 commit
- Created reference implementation of Continuous3DFunction · c9c218ac
  peastman authored Jan 30, 2014
  
  c9c218ac
29 Jan, 2014 1 commit
- Created reference implementation of Continuous2DFunction · 4cfeb429
  peastman authored Jan 28, 2014
  
  4cfeb429
28 Jan, 2014 1 commit
- Fix linker issues for CPU platform on Windows · 57eba9da
  Yutong Zhao authored Jan 28, 2014
  
  57eba9da
25 Jan, 2014 1 commit
- Created Discrete2DFunction and Discrete3DFunction · a773952e
  peastman authored Jan 24, 2014
  
  a773952e
24 Jan, 2014 1 commit
- Created Discrete1DFunction · 56e36449
  peastman authored Jan 24, 2014
  
  56e36449
23 Jan, 2014 1 commit
- Converted reference platform to process tabulated functions with the TabulatedFunction API · 98640b63
  peastman authored Jan 23, 2014
  
  98640b63
22 Jan, 2014 1 commit
- Fixed a compilation error · 77a54244
  peastman authored Jan 22, 2014
  
  77a54244
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
19 Dec, 2013 1 commit
- Parallelized LangevinIntegrator for CPU platform · ddf1216d
  peastman authored Dec 19, 2013
  
  ddf1216d
09 Dec, 2013 1 commit
- Parallelized SETTLE on CPU platform · 06748808
  peastman authored Dec 09, 2013
  
  06748808
06 Dec, 2013 1 commit
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
30 Oct, 2013 1 commit
- Minor optimizations to CPU platform: avoid applying periodic boundary conditions unnecessarily · 62c64e3c
  peastman authored Oct 30, 2013
  
  62c64e3c
16 Oct, 2013 1 commit
- Converted lots of ExpressionPrograms to CompiledExpressions · 54e47d2d
  peastman authored Oct 16, 2013
  
  54e47d2d
11 Oct, 2013 1 commit
- PME works correctly in CPU platform · e22b8f53
  peastman authored Oct 11, 2013
  
  e22b8f53
10 Oct, 2013 1 commit
- Began creating optimized implementation of direct space nonbonded calculation · 9bc194b9
  peastman authored Oct 10, 2013
  
  9bc194b9
08 Oct, 2013 1 commit
- Lots of code cleanup related to constraints in the reference platform · e68df534
  peastman authored Oct 08, 2013
  
  e68df534
07 Oct, 2013 1 commit
- Created reference implementation of SETTLE · bb8c2c6f
  peastman authored Oct 07, 2013
  
  bb8c2c6f
27 Aug, 2013 1 commit
- GBSAOBCForce adds an offset to the energy to reduce the discontinuity at the cutoff · b245e772
  peastman authored Aug 26, 2013
  
  b245e772
14 Aug, 2013 1 commit
- Simplified reference platform code for processing nonbonded exclusions · 4b129949
  peastman authored Aug 14, 2013
  
  4b129949
05 Aug, 2013 1 commit
- Created API and reference implementation of restricting CustomNonbondedForce... · 9840ca70
  peastman authored Aug 05, 2013
```
Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
```
  9840ca70
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

04 Apr, 2013 1 commit
- Ensure that CUDA is chosen over OpenCL when both are available · 4e50d721
  Peter Eastman authored Apr 04, 2013
  
  4e50d721
17 May, 2010 1 commit
- Restructured API for periodic box size so it is now queried from State rather than Context · 87542608
  Peter Eastman authored May 17, 2010
  
  87542608
25 Nov, 2009 1 commit

Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26

Peter Eastman authored Nov 25, 2009

Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.

cfcebe26

22 Sep, 2009 1 commit
- Eliminated Stream and related classes, replacing their functionality with UpdateStateDataKernel. · f5aebbd4
  Peter Eastman authored Sep 22, 2009
  
  f5aebbd4
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
10 Jul, 2009 1 commit
- Changed a few method signatures to make them easier to wrap · fa2c4192
  Peter Eastman authored Jul 10, 2009
  
  fa2c4192
08 Jul, 2009 1 commit
- Implemented VariableVerletIntegrator::stepTo() · 3adfe31f
  Peter Eastman authored Jul 08, 2009
  
  3adfe31f
18 Jun, 2009 1 commit
- API changes to support variable time step integrators · da52d3ae
  Peter Eastman authored Jun 18, 2009
  
  da52d3ae