Commits · 4e1e1b1162036a617d6ecadd5e218a799e0ecc6b · tsoc / openmm

11 Oct, 2010 1 commit
- Custom functions are now represented by natural splines · 4e1e1b11
  Peter Eastman authored Oct 11, 2010
  
  4e1e1b11
09 Oct, 2010 2 commits
- Continuing efforts to fix compilation errors under Windows · 06a98e93
  Peter Eastman authored Oct 09, 2010
  
  06a98e93
- Cutoffs/PBC for Vdw force · b8e12104
  Mark Friedrichs authored Oct 09, 2010
  
  b8e12104
07 Oct, 2010 4 commits
- Optimizations to PME · 408469c3
  Peter Eastman authored Oct 07, 2010
  
  408469c3
- Hopefully fixed compilation errors on Windows · 45b0302d
  Peter Eastman authored Oct 07, 2010
  
  45b0302d
- Optimizations to PME · 35c974f6
  Peter Eastman authored Oct 07, 2010
  
  35c974f6
- Optimizations to PME direct space computation · 92a338cf
  Peter Eastman authored Oct 07, 2010
  
  92a338cf
06 Oct, 2010 2 commits
- Fix for direct PME · b20978e1
  Mark Friedrichs authored Oct 06, 2010
  
  b20978e1
- Mods for direct PME · a9054686
  Mark Friedrichs authored Oct 06, 2010
  
  a9054686
04 Oct, 2010 3 commits
- Fixed errors under Windows · 01260070
  Peter Eastman authored Oct 04, 2010
  
  01260070
- Eliminated redundant computation of fixed multipole PME · a60e9cf1
  Peter Eastman authored Oct 04, 2010
  
  a60e9cf1
- Optimizations to PME · 773dd0f0
  Peter Eastman authored Oct 04, 2010
  
  773dd0f0
01 Oct, 2010 6 commits
- Created CudaForceInfo subclasses for all the Amoeba forces · 95f1884c
  Peter Eastman authored Oct 01, 2010
  
  95f1884c
- Revised molecule identification by Cuda platform to allow plugins to specify molecule structure · 640d8f0a
  Peter Eastman authored Oct 01, 2010
  
  640d8f0a
- Fixed error on 64 bit Linux · 25d054a4
  Peter Eastman authored Oct 01, 2010
  
  25d054a4
- PME mods · 6b0ad778
  Mark Friedrichs authored Oct 01, 2010
  
  6b0ad778
- Fixed compilation errors on Windows · f21e5169
  Peter Eastman authored Oct 01, 2010
  
  f21e5169
- Finished initial implementation of serialization · 027fe028
  Peter Eastman authored Oct 01, 2010
  
  027fe028
30 Sep, 2010 6 commits
- Removed unused field · 6a36e240
  Peter Eastman authored Sep 30, 2010
  
  6a36e240
- Reduced memory use · 3b45e509
  Peter Eastman authored Sep 30, 2010
  
  3b45e509
- Edited electrostatic calculation in AmoebaReferenceMultipoleForce · 2136b00f
  Mark Friedrichs authored Sep 30, 2010
  
  2136b00f
- Cleaned up for Windows compile · c6b1fa83
  Mark Friedrichs authored Sep 30, 2010
  
  c6b1fa83
- Initial AmoebaReferenceMultipoleForce · e20cc4f2
  Mark Friedrichs authored Sep 30, 2010
  
  e20cc4f2
- Continuing to implement serialization · 6d91d79d
  Peter Eastman authored Sep 30, 2010
  
  6d91d79d
29 Sep, 2010 4 commits
- More cleanup for Windows compilation · 3cae6a22
  Mark Friedrichs authored Sep 29, 2010
  
  3cae6a22
- Bug fix · c178a65c
  Peter Eastman authored Sep 29, 2010
  
  c178a65c
- Cleanup for Windows compile · f224fe20
  Mark Friedrichs authored Sep 29, 2010
  
  f224fe20
- Removed unnecessary clearing array · 73b55e33
  Peter Eastman authored Sep 29, 2010
  
  73b55e33
28 Sep, 2010 2 commits
- Fixing bugs in AMOEBA PME reciprocal space calculation · 5698a1fc
  Peter Eastman authored Sep 28, 2010
  
  5698a1fc
- Fixed PmeDirectElectrostatic energy · ad1b1ad1
  Mark Friedrichs authored Sep 28, 2010
  
  ad1b1ad1
27 Sep, 2010 2 commits
- Fixed scaling parameter bug · 1224ac17
  Mark Friedrichs authored Sep 27, 2010
  
  1224ac17
- Fixing bugs in AMOEBA PME reciprocal space calculation · 2a03c44f
  Peter Eastman authored Sep 27, 2010
  
  2a03c44f
24 Sep, 2010 3 commits
- Include cctype · 56a55129
  Mark Friedrichs authored Sep 24, 2010
  
  56a55129
- Fixed compilation errors and warnings · 60968dff
  Peter Eastman authored Sep 24, 2010
  
  60968dff
- Continuing to implement serialization · 73f5921c
  Peter Eastman authored Sep 24, 2010
  
  73f5921c
23 Sep, 2010 2 commits
- Fixed a method that was incorrectly not marked const · d350fb55
  Peter Eastman authored Sep 23, 2010
  
  d350fb55
- Fixed compilation errors · 8c63200f
  Peter Eastman authored Sep 23, 2010
  
  8c63200f
22 Sep, 2010 3 commits
- Fixed lots of bugs in AMOEBA PME reciprocal space calculation · fa088696
  Peter Eastman authored Sep 22, 2010
  
  fa088696
- Continuing to implement serialization · 5d9b6481
  Peter Eastman authored Sep 22, 2010
  
  5d9b6481
- Reference WcaDispersionForce · 6ee040ff
  Mark Friedrichs authored Sep 22, 2010
  
  6ee040ff