- 12 Jan, 2013 1 commit
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Lee-Ping Wang authored
Modified the AmoebaMultipoleForce.getSystemMultipoleMoments method with two extra arguments; toggle whether to evaluate energy/force and select maximum multipole order.
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- 12 Dec, 2012 1 commit
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Peter Eastman authored
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- 29 Nov, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 27 Nov, 2012 1 commit
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Peter Eastman authored
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- 21 Nov, 2012 1 commit
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Peter Eastman authored
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- 30 Oct, 2012 2 commits
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Peter Eastman authored
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Mark Friedrichs authored
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- 14 Oct, 2012 1 commit
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Mark Friedrichs authored
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- 12 Oct, 2012 1 commit
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Peter Eastman authored
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- 30 Sep, 2012 1 commit
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Mark Friedrichs authored
Modified Reference platform of AmoebaVdwForce to handle PBC, cutoffs, tapering and dispersion correction
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- 28 Sep, 2012 1 commit
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Peter Eastman authored
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- 27 Sep, 2012 1 commit
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Peter Eastman authored
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- 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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- 18 Nov, 2011 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 Sep, 2011 1 commit
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Peter Eastman authored
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- 27 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 26 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 20 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 14 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 26 Mar, 2011 1 commit
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Peter Eastman authored
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- 17 Mar, 2011 1 commit
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Peter Eastman authored
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- 11 Mar, 2011 1 commit
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Peter Eastman authored
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- 28 Feb, 2011 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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- 26 Feb, 2011 1 commit
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Peter Eastman authored
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- 26 Jan, 2011 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 25 Jan, 2011 1 commit
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Mark Friedrichs authored
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- 20 Jan, 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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- 04 Jan, 2011 1 commit
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Peter Eastman authored
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- 02 Dec, 2010 1 commit
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Mark Friedrichs authored
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- 20 Nov, 2010 1 commit
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Mark Friedrichs authored
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- 18 Nov, 2010 1 commit
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Mark Friedrichs authored
Added support for missing axis types (Cuda only) Removed rotationMatrix
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