- 12 Aug, 2012 1 commit
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Mark Friedrichs authored
added tests to TestCudaAmoebaVdwForce for dispersion correction using box of 216 water molecules AmoebaVdwForce and AmoebaMultipoleForce now throw execptions if cutoff > 0.5*(box size)
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- 20 Jun, 2012 1 commit
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Mark Friedrichs authored
Added AmoebaMultipoleForce::getSystemMultipoleMoments() to get system multipole moments; based on TINKER subroutine moments()
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- 15 Jun, 2012 1 commit
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Mark Friedrichs authored
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- 30 Sep, 2011 1 commit
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Mark Friedrichs authored
TorsionTorsion grids reordered, if needed, so that first angle is the 'slow' index Fixes for MonteCarloBarostat
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- 27 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 07 Jan, 2011 1 commit
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Mark Friedrichs authored
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- 05 Jan, 2011 1 commit
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Mark Friedrichs authored
Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be consistent w/ outlay other plugins, ...
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- 10 Nov, 2010 1 commit
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Mark Friedrichs authored
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- 26 Oct, 2010 1 commit
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Mark Friedrichs authored
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- 30 Sep, 2010 1 commit
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Mark Friedrichs authored
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- 22 Sep, 2010 1 commit
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Mark Friedrichs authored
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- 21 Sep, 2010 1 commit
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Mark Friedrichs authored
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- 20 Sep, 2010 1 commit
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Mark Friedrichs authored
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- 10 Sep, 2010 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 08 Sep, 2010 3 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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