Commits · f7c92bbdcc39def8be387c3f6100db0c065762fc · tsoc / openmm

21 Apr, 2010 1 commit
- Install directory now looks much more like actual OpenMM releases. · f7c92bbd
  Christopher Bruns authored Apr 21, 2010
  
  f7c92bbd
19 Apr, 2010 1 commit
- Default building of CUDA free energy plugin to "OFF" if cuda was not found. · 86f95f4c
  Christopher Bruns authored Apr 19, 2010
  
  86f95f4c
10 Feb, 2010 1 commit
- Export symbol gpuSetPeriodicBoxSize for Cuda FreeEnergy plugin on windows. · d20a82d1
  Christopher Bruns authored Feb 10, 2010
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Turn default to ON for nightly building Cuda FreeEnergy plugin, since it is desired for pyopenmm release.
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  d20a82d1
03 Dec, 2009 1 commit
- Modified softcore equation to conform w/ Shirts and Pande, JCP 122:134508, 2005. · 8f017de1
  Mark Friedrichs authored Dec 03, 2009
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Removed cruft from Cmake file
Modified the way platform is specified in TstFreeEnergyCudaUsingParameterFile.cpp
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  8f017de1
20 Nov, 2009 1 commit
- bornRadiusScaleFactors were not included in second GB/VI force loop · ab09b522
  Mark Friedrichs authored Nov 20, 2009
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removed some cruft
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  ab09b522
03 Nov, 2009 2 commits

Fixes to make Windows happier · fb249907
Mark Friedrichs authored Nov 03, 2009

fb249907

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

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