- 10 Nov, 2009 1 commit
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Peter Eastman authored
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- 04 Nov, 2009 1 commit
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Mark Friedrichs authored
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- 03 Nov, 2009 2 commits
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Mark Friedrichs authored
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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Peter Eastman authored
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- 28 Oct, 2009 1 commit
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Peter Eastman authored
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- 23 Oct, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 13 Oct, 2009 1 commit
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Rossen Apostolov authored
Comparison of the forces in the Ewald/PME reference tests is disabled by default. If set, they are compared to the double precision output from Gromacs.
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- 07 Oct, 2009 1 commit
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Rossen Apostolov authored
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- 04 Oct, 2009 1 commit
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Rossen Apostolov authored
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- 30 Sep, 2009 1 commit
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Peter Eastman authored
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- 21 Sep, 2009 3 commits
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Rossen Apostolov authored
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Rossen Apostolov authored
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Rossen Apostolov authored
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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- 20 Aug, 2009 1 commit
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Peter Eastman authored
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- 17 Aug, 2009 1 commit
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Peter Eastman authored
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- 12 Aug, 2009 1 commit
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Mark Friedrichs authored
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- 03 Aug, 2009 1 commit
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Peter Eastman authored
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- 30 Jul, 2009 1 commit
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Peter Eastman authored
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- 29 Jul, 2009 1 commit
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Peter Eastman authored
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- 17 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 14 Jul, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 10 Jul, 2009 1 commit
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Peter Eastman authored
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- 08 Jul, 2009 1 commit
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Peter Eastman authored
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- 07 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 02 Jul, 2009 1 commit
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Peter Eastman authored
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- 25 Jun, 2009 1 commit
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Peter Eastman authored
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- 23 Jun, 2009 1 commit
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Peter Eastman authored
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- 06 May, 2009 1 commit
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Peter Eastman authored
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- 01 May, 2009 2 commits
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Peter Eastman authored
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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 2 commits
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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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Peter Eastman authored
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- 09 Apr, 2009 1 commit
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Mark Friedrichs authored
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- 06 Apr, 2009 1 commit
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Rossen Apostolov authored
Implemented the Ewald summation method in the reference platform. Preliminary cuda prototype is included.
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- 20 Feb, 2009 1 commit
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Peter Eastman authored
Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.
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- 19 Feb, 2009 1 commit
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Peter Eastman authored
Checked in explicit solvent implementation for Cuda platform (cutoffs, periodic boundary conditions, SETTLE)
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