- 09 Apr, 2019 1 commit
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peastman authored
* Created API for HIPPO force field * Beginning of reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Completed reference of HIPPO with no cutoff * Beginning cutoffs/PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Completed reference implementation of HIPPO * Cleanup and optimization to HIPPO reference * Further cleanup to HIPPO * Combined direct space interactions into a single loop * Compute direct space interactions in quasi-internal frame * Beginning of CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Finished CUDA implementation of HIPPO * More features and test cases for HippoNonbondedForce * Serialization and Python API for HippoNonbondedForce * Fixed sign error in computing forces
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- 13 Jan, 2017 1 commit
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peastman authored
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- 19 Dec, 2016 1 commit
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Andy Simmonett authored
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- 18 Nov, 2016 1 commit
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Andy Simmonett authored
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- 20 Feb, 2015 2 commits
- 14 Jan, 2015 1 commit
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Peter Eastman authored
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- 19 Dec, 2014 1 commit
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peastman authored
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- 09 Dec, 2014 1 commit
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peastman authored
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- 30 Oct, 2013 1 commit
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peastman authored
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- 11 Oct, 2013 1 commit
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peastman authored
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- 10 Oct, 2013 1 commit
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peastman authored
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- 03 Jan, 2011 1 commit
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Peter Eastman authored
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- 09 Jun, 2010 1 commit
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Peter Eastman authored
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- 11 Dec, 2009 1 commit
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Peter Eastman authored
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- 19 Nov, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 18 Nov, 2009 1 commit
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Peter Eastman authored
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- 10 Sep, 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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- 07 Jul, 2009 1 commit
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Rossen Apostolov authored
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