Commits · 574766996c49b2dcd8ef8741349ee0b4bb2f3322 · tsoc / openmm

29 Jun, 2018 1 commit
- Fixed RPMD error created by changes to computing and storing charges · 57476699
  Peter Eastman authored Jun 29, 2018
  
  57476699
30 Jun, 2015 1 commit
- Fixed bug in RPMD contractions · e06d55f2
  peastman authored Jun 30, 2015
  
  e06d55f2
11 Dec, 2013 1 commit
- RPMD works correctly with a barostat · 88a11531
  peastman authored Dec 11, 2013
  
  88a11531
19 Aug, 2013 1 commit
- Fixed bug in RPMD contractions · 5e078fdd
  peastman authored Aug 19, 2013
  
  5e078fdd
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
25 Apr, 2013 1 commit
- Fixed thread synchronization problem in RPMD kernels · bcf9f9b4
  Peter Eastman authored Apr 25, 2013
  
  bcf9f9b4
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
14 Dec, 2012 1 commit

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.... · 18355094

Peter Eastman authored Dec 14, 2012

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.  This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.

18355094

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