Commits · 4e1e1b1162036a617d6ecadd5e218a799e0ecc6b · tsoc / openmm

09 Oct, 2010 1 commit
- Cutoffs/PBC for Vdw force · b8e12104
  Mark Friedrichs authored Oct 09, 2010
  
  b8e12104
04 Oct, 2010 1 commit
- Eliminated redundant computation of fixed multipole PME · a60e9cf1
  Peter Eastman authored Oct 04, 2010
  
  a60e9cf1
13 Sep, 2010 2 commits
- Direct space PME · 2ef05285
  Mark Friedrichs authored Sep 13, 2010
  
  2ef05285
- AmoebaCudaPmeMutualInducedField · c22f00cf
  Mark Friedrichs authored Sep 13, 2010
  
  c22f00cf
10 Sep, 2010 2 commits
- Wrote routines for PME reciprocal space part of the induced dipole calculation · 564fe013
  Peter Eastman authored Sep 10, 2010
  
  564fe013
- Bug fixes to PME reciprocal space calculation · 68fd08c3
  Peter Eastman authored Sep 10, 2010
  
  68fd08c3
08 Sep, 2010 1 commit
- Continuing implementation of PME reciprocal space calculation · 7b3072df
  Peter Eastman authored Sep 08, 2010
  
  7b3072df
03 Sep, 2010 2 commits
- Beginning to implement PME reciprocal space calculation · fb62fecb
  Peter Eastman authored Sep 03, 2010
  
  fb62fecb
- 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

Mark Friedrichs authored Aug 24, 2010

Added checks for nonbonded methods
Removed unused functionality from GK force
Moved non-accessor methods from Force classes to ForceImpl classes

d3f0d1f7

06 Aug, 2010 1 commit
- Fixed problem w/ cavity force · a80b8a02
  Mark Friedrichs authored Aug 06, 2010
  
  a80b8a02
05 Aug, 2010 1 commit
- Cleanup of AmoebaTinkerParameterFile · ac8cb97f
  Mark Friedrichs authored Aug 05, 2010
  
  ac8cb97f
22 Jul, 2010 1 commit
- Initial Amoeba · f7f79b04
  Mark Friedrichs authored Jul 22, 2010
  
  f7f79b04