- 14 Jan, 2014 1 commit
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peastman authored
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- 12 Dec, 2013 1 commit
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peastman authored
Plugins work with CPU platform. This involved separating the reference implementations of plugins into their own libraries.
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- 05 Dec, 2013 1 commit
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peastman authored
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- 17 Oct, 2013 1 commit
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peastman authored
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- 08 Jul, 2013 1 commit
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peastman authored
Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 03 Apr, 2013 1 commit
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Peter Eastman authored
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 17 Mar, 2013 1 commit
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Lee-Ping Wang authored
Fixed units for AMOEBA dipole and quadrupole moment (now returns Debye and Debye * Angstrom, not Debye/10 and Debye*Angstrom/100.) Rationale is that Debye/10 is not a common physical unit. Note that CUDA platform still gets quadrupole to be incorrect.
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- 12 Jan, 2013 2 commits
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Lee-Ping Wang authored
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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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- 21 Dec, 2012 1 commit
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Peter Eastman authored
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- 17 Dec, 2012 1 commit
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Peter Eastman authored
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- 12 Dec, 2012 1 commit
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Peter Eastman authored
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- 07 Dec, 2012 1 commit
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Peter Eastman authored
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- 06 Dec, 2012 1 commit
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Peter Eastman authored
Fixed test failures caused by linking to the same library twice, once statically and once dynamically
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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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- 05 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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- 31 Jan, 2012 1 commit
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Peter Eastman authored
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- 23 Nov, 2011 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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- 29 Sep, 2011 1 commit
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Mark Friedrichs authored
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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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