Commits · d314e695a83252ff6cbfe07a4b25f446caae33a6 · tsoc / openmm

19 Jan, 2017 1 commit
- Added initial CUDA LJPME code, and modified cpupme plugin to handle LJPME as a standalone method. · 7b66ba19
  Andy Simmonett authored Jan 19, 2017
  
  7b66ba19
19 Dec, 2016 2 commits

Updated tests, to compare to Gromacs · 1b31ef62

Andy Simmonett authored Aug 15, 2016

o Added C12 shift term, to match GMX.
o Added tests to compare energies and forces directly to GMX, with and without exclusions.
o Modified set/get LJPME parameters to look similar to electrostatic equivalents.

1b31ef62

Initial reference implementation of LJPME. · 6cc49dbe
Andy Simmonett authored Aug 11, 2016

6cc49dbe

28 Nov, 2016 1 commit
- Fixed a bug in setting property by deprecated name · a6fd8742
  Peter Eastman authored Nov 28, 2016
  
  a6fd8742
18 Nov, 2016 2 commits

Updated tests, to compare to Gromacs · 42e695c7

Andy Simmonett authored Aug 15, 2016

42e695c7

Initial reference implementation of LJPME. · a919ab44
Andy Simmonett authored Aug 11, 2016

a919ab44

06 Jul, 2016 1 commit
- Beginnings of support for derivatives with respect to parameters · cd566c63
  peastman authored Jul 06, 2016
  
  cd566c63
26 May, 2016 1 commit
- Platform::getOpenMMVersion() includes patch version · 086501a7
  peastman authored May 26, 2016
  
  086501a7
05 May, 2016 1 commit
- Changing box vectors does not change positions · 32ea2e9d
  Peter Eastman authored May 05, 2016
  
  32ea2e9d
21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
11 Feb, 2016 1 commit
- Created API for Gay-Berne force · 7db6258a
  peastman authored Feb 11, 2016
  
  7db6258a
14 Dec, 2015 1 commit
- Other header updates to bring docs into consistency with function signatures · 90fea164
  Robert T. McGibbon authored Dec 13, 2015
  
  90fea164
12 Dec, 2015 1 commit
- Minor changes to doxygen comments · 0af10b15
  peastman authored Dec 11, 2015
  
  0af10b15
19 Nov, 2015 1 commit
- Deleted GBVIForce · 14e78600
  Peter Eastman authored Nov 19, 2015
  
  14e78600
03 Sep, 2015 1 commit
- One file that got missed in the last commit · 0f5f5334
  peastman authored Sep 03, 2015
  
  0f5f5334
31 Aug, 2015 1 commit
- Created API for CustomCentroidBondForce · f1603534
  peastman authored Aug 31, 2015
  
  f1603534
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
11 Aug, 2015 1 commit
- CPU PME plugin uses ThreadPool instead of implementing its own parallelization · 63e2123d
  peastman authored Aug 11, 2015
  
  63e2123d
06 Jul, 2015 1 commit
- Sort plugins by length of filename before loading · b67e50d5
  Robert McGibbon authored Jun 29, 2015
  
  b67e50d5
29 Jun, 2015 3 commits
- Change function name · 1a37f02a
  Robert McGibbon authored Jun 29, 2015
  
  1a37f02a
- loadPlugins in order · 75e75aae
  Robert McGibbon authored Jun 29, 2015
  
  75e75aae
- Record plugin load failures · b2e7d94e
  Robert McGibbon authored Jun 29, 2015
  
  b2e7d94e
05 May, 2015 1 commit
- fix mingw build · 37743d27
  xantares authored May 05, 2015
  
  37743d27
16 Mar, 2015 1 commit
- Added updateParametersInContext() to CMAPTorsionForce, and implemented in reference platform · 474bbf7a
  peastman authored Mar 16, 2015
  
  474bbf7a
06 Mar, 2015 1 commit
- For multi-GPU, exceeding the size of the neighbor list causes the forces to be marked as invalid · bd666c27
  peastman authored Mar 06, 2015
  
  bd666c27
19 Dec, 2014 1 commit
- CPU PME works with triclinic boxes · f6aae604
  peastman authored Dec 18, 2014
  
  f6aae604
04 Nov, 2014 1 commit
- range check getPlatform() · c1cbd441
  Robert McGibbon authored Nov 03, 2014
  
  c1cbd441
05 Aug, 2014 1 commit
- Began implementing CustomManyParticleForce · e1a378b7
  peastman authored Aug 05, 2014
  
  e1a378b7
23 Jul, 2014 1 commit
- Preliminary support for Chrome portable native client · 35041ae1
  peastman authored Jul 23, 2014
  
  35041ae1
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
13 Dec, 2013 1 commit
- Detect if user specifies an unknown property name · 8beb127c
  peastman authored Dec 13, 2013
  
  8beb127c
02 Aug, 2013 1 commit
- Get the version number from the CMake script · 54ef6b4c
  peastman authored Aug 02, 2013
  
  54ef6b4c
24 Jun, 2013 1 commit
- Moved CPU based PME to a separate plugin · 5e0b0e3a
  peastman authored Jun 24, 2013
  
  5e0b0e3a
01 Jun, 2013 2 commits
- Removed duplicate kernels, slightly modified API for Python compatibility. · b7a24d6c
  Lee-Ping authored Jun 01, 2013
  
  b7a24d6c
- Code implemented and passes tests · 665de794
  Lee-Ping authored Jun 01, 2013
  
  665de794
31 May, 2013 1 commit
- Currently in the middle of implementing new version but not finished yet. · 85bf8e99
  Lee-Ping authored May 31, 2013
  
  85bf8e99
29 May, 2013 1 commit
- Added anisotropic MC barostat option, allowing x, y, and z lattice vectors to change independently. · 6f09ac01
  Lee-Ping authored May 29, 2013
  
  6f09ac01
12 Apr, 2013 1 commit
- Updated version number to 5.1 · cbc21173
  Peter Eastman authored Apr 12, 2013
  
  cbc21173
14 Dec, 2012 1 commit
- Updated version number to 5.0 · 1a51d349
  Peter Eastman authored Dec 14, 2012
  
  1a51d349
11 Dec, 2012 1 commit
- Added a missing const keyword · fb48658f
  Peter Eastman authored Dec 11, 2012
  
  fb48658f