- 29 Sep, 2015 3 commits
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Jason Swails authored
- Remove API change for AmoebaAngleForce so it goes back to only taking degrees. Handle conversion via a pythonprepend (since stripUnits is done in C++ now). - Do the same thing for TorsionTorsionForce, since angles are in degrees again - Add AmoebaVdwForce and AmoebaWcaForce tests
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Jason Swails authored
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Jason Swails authored
angles are in degrees (unlike *every* other angle force out there), and stripUnits automatically reduces all angles to radians if they come in with units. The approach here is to *slightly* change the API, so that AmoebaAngleForce.addAngle interprets input angles <2*pi as radians, and >2*pi as degrees. This is heuristic, but should work in every case out in the wild so far. I've also updated the documentation to reflect this behavior, and fixed the units attached to the return value of AmoebaAngleForce.getAngleParameters() to return degrees instead of radians.
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- 23 Feb, 2015 1 commit
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peastman authored
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- 21 Feb, 2015 1 commit
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peastman authored
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- 05 Apr, 2014 1 commit
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Jason Swails authored
from all .cpp and .h files.
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- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 21 Nov, 2012 1 commit
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Peter Eastman authored
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- 28 Sep, 2012 1 commit
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Peter Eastman 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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- 22 Jul, 2010 1 commit
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Mark Friedrichs authored
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- 01 May, 2009 1 commit
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 1 commit
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Peter Eastman authored
Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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- 22 Oct, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 13 May, 2008 1 commit
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Peter Eastman authored
Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen
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- 29 Apr, 2008 1 commit
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Peter Eastman authored
Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
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- 16 Apr, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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