Commits · bd4876ccae51d61cd20854dd8b3144bc45aed8e7 · tsoc / openmm

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31 May, 2013 2 commits
- Created OpenCL implementation of ring polymer contraction · 8656e3ba
  peastman authored May 31, 2013
  
  8656e3ba
- Created CUDA implementation of ring polymer contraction · 863447a6
  peastman authored May 30, 2013
  
  863447a6
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

26 Apr, 2013 1 commit
- Fixed thread synchronization problem in RPMD kernels · 647b2ea1
  Peter Eastman authored Apr 26, 2013
  
  647b2ea1
10 Apr, 2013 1 commit
- RPMD supports virtual sites · 3e7616fc
  Peter Eastman authored Apr 10, 2013
  
  3e7616fc
14 Feb, 2013 1 commit
- RPMDIntegrator invokes updateContextState() (see bug 1798) · 88812cd1
  Peter Eastman authored Feb 14, 2013
  
  88812cd1
16 Nov, 2012 1 commit
- RPMD supports mixed and double precision · cd6af26e
  Peter Eastman authored Nov 16, 2012
  
  cd6af26e
05 Nov, 2012 1 commit
- Created CUDA implementation of RPMD · 05198df6
  Peter Eastman authored Nov 05, 2012
  
  05198df6