Commits · 1b9ab82bbbee05223348c9812266c599a2fffce4 · tsoc / openmm

31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
24 Mar, 2009 2 commits
- Keep atom coordinates in the first periodic cell to maintain precision. · 389563ef
  Peter Eastman authored Mar 24, 2009
  
  389563ef
- Deleted lots of obsolete code. · ff0a69f9
  Peter Eastman authored Mar 24, 2009
  
  ff0a69f9
10 Mar, 2009 1 commit
- Implemented finer grained neighbor list. Also various minor optimizations. · e04283fe
  Peter Eastman authored Mar 10, 2009
  
  e04283fe
06 Mar, 2009 1 commit
- Use Hilbert curve for reordering water molecules · 56d7ed02
  Peter Eastman authored Mar 06, 2009
  
  56d7ed02
28 Feb, 2009 1 commit
- Reduced memory use for random numbers. Also reduced the frequency of reordering water molecules. · aeb2f4ac
  Peter Eastman authored Feb 28, 2009
  
  aeb2f4ac
27 Feb, 2009 1 commit
- Reduced memory use for exclusions. Also deleted some obsolete files. · 8055a541
  Peter Eastman authored Feb 27, 2009
  
  8055a541
20 Feb, 2009 1 commit

Peter Eastman authored Feb 20, 2009

Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.

eb0bba22

19 Feb, 2009 1 commit
- Checking in Cuda implementation of explicit solvent · 1010df33
  Peter Eastman authored Feb 19, 2009
  
  1010df33
27 Jan, 2009 1 commit
- Checked in Cuda code · 38f6c8f8
  Peter Eastman authored Jan 27, 2009
  
  38f6c8f8