Commits · 014797f4a19ffd7c39325009d62d88b96a37634e · tsoc / openmm

18 Aug, 2020 1 commit

Updated to latest values for physical constants (#2802) · b4543a46

peastman authored Aug 18, 2020

* Updated to latest values for physical constants

* Updated documentation on physical constants

* Updated Python unit definitions

* Fixed constants in test case

* Added a comment

b4543a46

21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
20 Apr, 2016 1 commit
- CUDA implementation of periodic boundary conditions for AMOEBA bonded forces · 713cc0f9
  Peter Eastman authored Apr 20, 2016
  
  713cc0f9
23 Feb, 2015 2 commits
- Cleaned up formatting in AMOEBA code · d95b90b9
  peastman authored Feb 23, 2015
  
  d95b90b9
- Deleted more debugging code · a568bb12
  peastman authored Feb 23, 2015
  
  a568bb12
21 Nov, 2012 1 commit
- Added updateParametersInContext() methods to most AMOEBA forces. · f2e0735f
  Peter Eastman authored Nov 21, 2012
  
  f2e0735f
31 Oct, 2012 1 commit
- OpenCL and CUDA tests are run three times, once for each precision model · 3c8adf0c
  Peter Eastman authored Oct 31, 2012
  
  3c8adf0c
28 Sep, 2012 2 commits
- Removed the word "harmonic" from lots of places it didn't belong, including class and method names · c6ebf6e2
  Peter Eastman authored Sep 28, 2012
  
  c6ebf6e2
- Renamed cuda2 platform to cuda · 58b094ce
  Peter Eastman authored Sep 28, 2012
  
  58b094ce
27 Sep, 2012 1 commit
- Major cleanup of the AMOEBA API · 1db349e5
  Peter Eastman authored Sep 27, 2012
  
  1db349e5
10 Jul, 2012 1 commit

Began converting AMOEBA to the new CUDA platform: AmoebaHarmonicBondForce,... · f5980599

Peter Eastman authored Jul 10, 2012

Began converting AMOEBA to the new CUDA platform: AmoebaHarmonicBondForce, AmoebaHarmonicAngleForce, AmoebaHarmonicInPlaneAngleForce, AmoebaPiTorsionForce

f5980599

31 Jan, 2012 1 commit
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
08 Jul, 2011 1 commit
- Mods to allow CudaAmoeba units tests to run w/o setting plugin directory · aff7f7bd
  Mark Friedrichs authored Jul 08, 2011
  
  aff7f7bd
29 Mar, 2011 1 commit
- Output changed to 'Done' if test passes to be consistent w/ other OpenMM unit tests · 4614fe27
  Mark Friedrichs authored Mar 29, 2011
  
  4614fe27
28 Feb, 2011 1 commit
- Fix for gcc 4.4.x · 0304bced
  Mark Friedrichs authored Feb 28, 2011
  
  0304bced
07 Jan, 2011 1 commit
- Renamed OpenMMAmoeba,h to AmoebaOpenMM for consistency w/ other plugin · b90e80ff
  Mark Friedrichs authored Jan 07, 2011
  
  b90e80ff
16 Aug, 2010 1 commit
- Updated unit tests · 2bdb84bd
  Mark Friedrichs authored Aug 16, 2010
  
  2bdb84bd
28 Jul, 2010 1 commit
- Fixed parameter scaling issue w/ AmoebaHarmonicBondForce · 12680294
  Mark Friedrichs authored Jul 28, 2010
```
Test use env variable OPENMM_PLUGIN_DIR to find plugin
```
  12680294
22 Jul, 2010 1 commit
- Initial Amoeba · f7f79b04
  Mark Friedrichs authored Jul 22, 2010
  
  f7f79b04