Commits · ec8774a0ad2b16fb0f6a28358dd2000f16b92c16 · tsoc / openmm

28 Jun, 2011 1 commit
- Optimzations and bug fix for mapping of torque to force for small molecules · 4a1e9683
  Mark Friedrichs authored Jun 28, 2011
  
  4a1e9683
07 Apr, 2011 2 commits
- Torques now mapped to forces only once per force calculation · 1aff5bcb
  Mark Friedrichs authored Apr 07, 2011
  
  1aff5bcb
- Removal of limitation for 'long-range in sequence' covalent bonds · 761d7e17
  Mark Friedrichs authored Apr 07, 2011
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Reduced memory footprint
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  761d7e17
11 Feb, 2011 1 commit

PME fixes · 0fe5c905

Mark Friedrichs authored Feb 11, 2011

Converted CUDAStream SysStream[0] and DevStream[0] references to SysData & Devdata

0fe5c905

18 Jan, 2011 1 commit
- Fixed problems on compute level 1.2 GPUs · 81cd9f5f
  Peter Eastman authored Jan 18, 2011
  
  81cd9f5f
19 Nov, 2010 1 commit
- Decouple multipole & vdw cutoff · 0d78f22f
  Mark Friedrichs authored Nov 19, 2010
  
  0d78f22f
13 Oct, 2010 1 commit
- Mods for Windows compile · 7752cbf1
  Mark Friedrichs authored Oct 13, 2010
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Renamed files to be consistent w/ other file names
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  7752cbf1
30 Sep, 2010 1 commit
- Reduced memory use · 3b45e509
  Peter Eastman authored Sep 30, 2010
  
  3b45e509
26 Jul, 2010 1 commit

Mark Friedrichs authored Jul 26, 2010

Modified out-of-plane bend force to improve stability
Redid arguments to kCalculateAmoebaCudaKirkwood to reduce lmem

7eaa5d29

22 Jul, 2010 1 commit
- Initial Amoeba · f7f79b04
  Mark Friedrichs authored Jul 22, 2010
  
  f7f79b04