Commits · b494be1aa7b0c2e21dcd57c2f442df0644358f17 · tsoc / openmm

15 Oct, 2018 1 commit
- Fixed error using DrudeForce with multiple GPUs · b494be1a
  peastman authored Oct 15, 2018
  
  b494be1a
14 Feb, 2018 1 commit
- Finished converting CudaArrays. · 372f1724
  Peter Eastman authored Feb 14, 2018
  
  372f1724
18 Jun, 2016 1 commit
- DrudeLangevinIntegrator was not disabling hardwall constraint for maxDistance=0 · 8494cb74
  Peter Eastman authored Jun 17, 2016
  
  8494cb74
03 Feb, 2016 1 commit
- Fix a bug in DrudeParticleForce on the anisotropy in the aniso34 direction. · 0f546f7d
  Jing Huang authored Feb 03, 2016
  
  0f546f7d
06 Oct, 2015 1 commit
- CUDA and OpenCL implementation of hard wall constraints for DrudeLangevinIntegrator · 469cdcaf
  Peter Eastman authored Oct 05, 2015
  
  469cdcaf
18 Jul, 2014 1 commit
- Fixed error in DrudeForce::updateParametersInContext() · 0fc61dbf
  peastman authored Jul 17, 2014
  
  0fc61dbf
14 Jul, 2014 1 commit
- Changed definition of polarizability to match CHARMM · e1e1e12d
  peastman authored Jul 14, 2014
  
  e1e1e12d
11 Jun, 2014 1 commit
- Fixed an error in the computation of Drude screening force · 1893e517
  peastman authored Jun 11, 2014
  
  1893e517
15 Aug, 2013 1 commit
- Fixed crash due to a kernel's arguments having changed · 01622931
  peastman authored Aug 15, 2013
  
  01622931
17 Jul, 2013 1 commit
- Fixed compilation problems on Windows · 8d9ef563
  peastman authored Jul 16, 2013
  
  8d9ef563
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

28 May, 2013 1 commit

Integrators control when atom reordering gets done, instead of having it... · 18f78c1e

peastman authored May 28, 2013

Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated.  This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.

18f78c1e

24 May, 2013 3 commits
- Implemented updateParametersInContext() for DrudeForce · 112b1993
  peastman authored May 24, 2013
  
  112b1993
- Created OpenCL implementation of DrudeSCFIntegrator · 16bd6601
  peastman authored May 24, 2013
  
  16bd6601
- Created CUDA implementation of DrudeSCFIntegrator · 8f5c9840
  peastman authored May 23, 2013
  
  8f5c9840
21 May, 2013 1 commit
- Implemented serialization for Drude plugin · 6185317a
  peastman authored May 21, 2013
  
  6185317a
16 May, 2013 1 commit
- Created OpenCL implementation of DrudeForce and DrudeLangevinIntegrator · f8c98f32
  Peter Eastman authored May 16, 2013
  
  f8c98f32
15 May, 2013 1 commit
- Created CUDA implementation of DrudeForce and DrudeLangevinIntegrator · 09a8475d
  Peter Eastman authored May 15, 2013
  
  09a8475d