Commits · a60e9cf11256820aba8d2e0934c7b89733cdf6a3 · tsoc / openmm

"TRELLIS.2_DCU/data_toolkit/asset_stats.py" did not exist on "297bf637e0adc901853e2e4cc43b638ae3566099"

04 Oct, 2010 1 commit
- Eliminated redundant computation of fixed multipole PME · a60e9cf1
  Peter Eastman authored Oct 04, 2010
  
  a60e9cf1
01 Oct, 2010 1 commit
- PME mods · 6b0ad778
  Mark Friedrichs authored Oct 01, 2010
  
  6b0ad778
30 Sep, 2010 1 commit
- Reduced memory use · 3b45e509
  Peter Eastman authored Sep 30, 2010
  
  3b45e509
28 Sep, 2010 1 commit
- Fixed PmeDirectElectrostatic energy · ad1b1ad1
  Mark Friedrichs authored Sep 28, 2010
  
  ad1b1ad1
15 Sep, 2010 2 commits
- Added debugging code · e3196201
  Mark Friedrichs authored Sep 15, 2010
  
  e3196201
- Bug fixes to PME reciprocal space calculation · 227aa72a
  Peter Eastman authored Sep 15, 2010
  
  227aa72a
14 Sep, 2010 1 commit
- Continue PME · 42d5b80a
  Mark Friedrichs authored Sep 14, 2010
  
  42d5b80a
13 Sep, 2010 1 commit
- Direct space PME · 2ef05285
  Mark Friedrichs authored Sep 13, 2010
  
  2ef05285
09 Sep, 2010 1 commit
- Continuing implementation of PME reciprocal space calculation · cf99c386
  Peter Eastman authored Sep 09, 2010
  
  cf99c386
03 Sep, 2010 1 commit
- PME real space and self terms for fixed E-field · cf335495
  Mark Friedrichs authored Sep 03, 2010
  
  cf335495
27 Aug, 2010 1 commit

Mark Friedrichs authored Aug 27, 2010

Removal SASA code
Versioning introduced in AmoebaTinkerParameterFile
Decomposition of PME forces included in prm files

3bcfe998