Commits · 8f8aa247a4d49379f5d11e9421162b6e9b77289f · tsoc / openmm

03 Jul, 2018 1 commit
- Code cleanup to reference and CPU platforms · 9f37b18b
  peastman authored Jul 03, 2018
  
  9f37b18b
13 Jan, 2017 1 commit
- Eliminated RealOpenMM type · a783b996
  peastman authored Jan 13, 2017
  
  a783b996
06 Jul, 2016 1 commit
- Beginnings of support for derivatives with respect to parameters · cd566c63
  peastman authored Jul 06, 2016
  
  cd566c63
20 Feb, 2015 4 commits
- Elimininated obsolete SimTKOpenMMCommon files · 0671c7b0
  peastman authored Feb 20, 2015
  
  0671c7b0
- Cleaned up lots of formatting to be more consistent with the rest of OpenMM · 7fb10336
  peastman authored Feb 20, 2015
  
  7fb10336
- Deleted obsolete logging class · 1d3ffd7b
  peastman authored Feb 20, 2015
  
  1d3ffd7b
- Moved reference platform classes into OpenMM namespace · 9111cca0
  peastman authored Feb 20, 2015
  
  9111cca0
05 Aug, 2014 1 commit
- Began implementing CustomManyParticleForce · e1a378b7
  peastman authored Aug 05, 2014
  
  e1a378b7
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

22 Mar, 2013 1 commit
- Replaced lots of tabs with spaces · b723e4af
  Peter Eastman authored Mar 22, 2013
  
  b723e4af
03 Jan, 2011 1 commit
- First stage of a refactoring to clean up the reference platform · 0843c5f3
  Peter Eastman authored Jan 03, 2011
  
  0843c5f3
21 Jul, 2010 1 commit
- Simplified reference code for accumulating energies · 5003591d
  Peter Eastman authored Jul 21, 2010
  
  5003591d
18 Dec, 2009 1 commit
- Fixed compilation warnings on Windows · 48acdae0
  Peter Eastman authored Dec 18, 2009
  
  48acdae0
11 Dec, 2009 1 commit
- Hopefully improved the accuracy of torsion calculations · 3f248310
  Peter Eastman authored Dec 11, 2009
  
  3f248310
03 Nov, 2009 1 commit

dded GB/VI to Cuda platform · 7a36f461

Mark Friedrichs authored Nov 03, 2009

Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail

7a36f461

31 Jul, 2009 1 commit

Forced computation of dot product used in computing angles to be done in... · 195a36fe

Mark Friedrichs authored Jul 31, 2009

Forced computation of dot product used in computing angles to be done in double precision; acos() is very steep for angles near pi and single precison was giving disagreement w/ corresponding Gromacs values (discrepancies of the order of ~1.0)

195a36fe

19 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform · 012b28e6
  Peter Eastman authored Apr 19, 2008
  
  012b28e6
18 Apr, 2008 1 commit
- Began implementing ReferencePlatform · e561a678
  Peter Eastman authored Apr 18, 2008
  
  e561a678
17 Apr, 2008 1 commit
- Moving the reference code into the platforms folder · 76e2849c
  Peter Eastman authored Apr 17, 2008
  
  76e2849c