Commits · c2be00a61c30c9990ddd610392a61b9142c7c6a1 · tsoc / openmm

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
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
30 Oct, 2012 1 commit
- Added Context::applyVelocityConstraints() and Context::setVelocitiesToTemperature() · 8cc22e17
  Peter Eastman authored Oct 30, 2012
  
  8cc22e17
25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
24 Oct, 2012 1 commit
- Minor fixes and cleanup · e479d792
  Peter Eastman authored Oct 24, 2012
  
  e479d792
27 Jun, 2012 1 commit
- Fixed errors in which destructors were executed in the wrong order · 9353e464
  Peter Eastman authored Jun 27, 2012
  
  9353e464
07 Jun, 2012 1 commit
- Implemented updateParametersInContext() for five more Force classes · 99cebd08
  Peter Eastman authored Jun 07, 2012
  
  99cebd08
06 Jun, 2012 2 commits
- Implemented updateParametersInContext() for seven more Force classes · 4bc723ab
  Peter Eastman authored Jun 06, 2012
  
  4bc723ab
- Implemented updateParametersInContext() for GBSAOBCForce · b5e2a951
  Peter Eastman authored Jun 06, 2012
  
  b5e2a951
31 May, 2012 1 commit
- Implemented updateParametersInContext() for NonbondedForce · 59b0c5fa
  Peter Eastman authored May 31, 2012
  
  59b0c5fa
14 May, 2012 1 commit
- Created templatized interface for Kernel, which made a lot of code that invokes kernels cleaner. · b4044e73
  Peter Eastman authored May 14, 2012
  
  b4044e73