- 06 Sep, 2024 1 commit
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Peter Eastman authored
* Optimize CustomNonbondedForce.updateParametersInContext() * Optimized uploading changed values to GPU * Optimized updateParametersInContext() for lots of bonded forces * Optimized updateParametersInContext() for CustomExternalForce * Optimized updateParametersInContext() for NonbondedForce * Code changes for HIP platform
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- 15 Jul, 2021 1 commit
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Peter Eastman authored
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- 21 Feb, 2020 1 commit
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peastman authored
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- 11 Jul, 2018 1 commit
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peastman authored
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- 20 Jun, 2018 1 commit
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peastman authored
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- 07 Apr, 2017 1 commit
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Peter Eastman authored
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- 06 Mar, 2017 1 commit
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peastman authored
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- 26 Jan, 2017 1 commit
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Peter Eastman authored
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- 19 Dec, 2016 2 commits
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 18 Nov, 2016 2 commits
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 29 Jun, 2016 1 commit
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peastman authored
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- 03 Sep, 2015 1 commit
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peastman authored
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- 11 Mar, 2014 1 commit
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peastman authored
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- 04 May, 2013 1 commit
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Peter Eastman authored
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- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 31 May, 2012 1 commit
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Peter Eastman authored
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- 28 Mar, 2012 1 commit
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Peter Eastman authored
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- 14 Feb, 2012 1 commit
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Peter Eastman authored
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- 31 Jan, 2012 1 commit
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Peter Eastman authored
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- 21 Jun, 2010 1 commit
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Peter Eastman authored
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- 18 Jun, 2010 1 commit
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Peter Eastman authored
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- 24 Oct, 2009 1 commit
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Peter Eastman authored
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 09 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 07 Jul, 2009 1 commit
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Peter Eastman authored
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- 02 Jul, 2009 1 commit
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Peter Eastman 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
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- 11 Apr, 2009 1 commit
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Peter Eastman authored
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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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