Commits · 56f05a6c6926cc3f69063df0e1789e459e6c76c5 · tsoc / openmm

13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
25 Nov, 2009 1 commit
- Hack particular gccxml location for one particular nightly build machine. · d9e73e43
  Christopher Bruns authored Nov 25, 2009
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Incorporate Normal Mode Langevin openmm code from Chris Sweet as a plugin.  (compiles on windows, but no actual testing done)
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  d9e73e43
12 Jun, 2009 1 commit
- Cleaned up constraint code and deleted obsolete constraint implementations · 05259f77
  Peter Eastman authored Jun 12, 2009
  
  05259f77
21 May, 2009 1 commit
- Working on new constraint algorithm · 6fd7f3bb
  Peter Eastman authored May 21, 2009
  
  6fd7f3bb
20 May, 2009 1 commit
- Improved how matrices get calculated for reference C-SHAKE algorithm. · 52c04559
  Peter Eastman authored May 20, 2009
  
  52c04559
01 May, 2009 1 commit
- Created reference implementation of rigid shake algorithm. Added the JAMA package to OpenMM. · 52a68c81
  Peter Eastman authored May 01, 2009
  
  52a68c81
08 Apr, 2009 1 commit
- Continuing implementation of LINCS for Cuda platform · 968cb132
  Peter Eastman authored Apr 08, 2009
  
  968cb132
31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
29 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (implemented GBSA kernels, added... · 2cfc6821
  Peter Eastman authored Apr 29, 2008
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Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
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  2cfc6821
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