- 22 May, 2021 1 commit
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Peter Eastman authored
* Began converting AMOEBA to common platform * Beginning of OpenCL platform for AMOEBA * Converted AmoebaVdwForce to common platform * Cleaned up reference AMOEBA tests * Began converting AmoebaMultipoleForce to common platform * Continue converting AmoebaMultipoleForce to common platform * Bug fixes * Bug fix * Continue converting AmoebaMultipoleForce to common platform * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Converted arrays from real3 to real * Bug fix to OpenCL AmoebaGeneralizedKirkwoodForce * Fixes for AMD GPUs * Began converting HippoNonbondedForce to common platform * Continuing to convert HippoNonbondedForce to common platform * Continuing to convert HippoNonbondedForce to common platform * Working on unifying PME kernels * Fixed error on devices without 64 bit atomics * Unified PME kernels * Converted HippoNonbondedForce to common platform * Creating OpenCL implementation of HippoNonbondedForce * Continuing OpenCL implementation of HippoNonbondedForce * Mostly finished OpenCL implementation of HippoNonbondedForce * Eliminated three component vector types in host code * Fix errors on CPU OpenCL * Skip double precision tests for AMOEBA on OpenCL * Bug fixes * Bug fixes * Fixed compilation error
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- 10 Sep, 2020 1 commit
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peastman authored
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- 20 Aug, 2020 1 commit
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peastman authored
* Fixed range overflow with very large numbers of atoms * More fixes to overflow with large numbers of atoms * Fix test failures
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- 02 Sep, 2016 1 commit
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peastman authored
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- 07 Jul, 2016 1 commit
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peastman authored
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- 25 May, 2016 1 commit
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Peter Eastman authored
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- 02 Oct, 2015 1 commit
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Peter Eastman authored
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- 21 Sep, 2015 1 commit
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Peter Eastman authored
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- 27 Aug, 2015 1 commit
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peastman authored
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- 13 Aug, 2015 1 commit
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Robert McGibbon authored
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- 09 Jul, 2015 1 commit
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Peter Eastman authored
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- 07 Jan, 2015 1 commit
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Peter Eastman authored
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- 13 Oct, 2014 1 commit
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peastman authored
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- 09 Oct, 2014 1 commit
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peastman authored
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- 12 Aug, 2014 1 commit
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peastman authored
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- 27 Jun, 2014 1 commit
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peastman authored
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- 07 Jan, 2014 1 commit
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peastman authored
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- 04 Jun, 2013 1 commit
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peastman authored
Converted the array containing atom block indices for the neighbor list from ushort2 to int. This removes the hard limit of 2 million atoms.
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- 19 Apr, 2013 1 commit
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Yutong Zhao authored
Fixes a hard to catch bug when a boundingBoxSize increases in size in between a timestep, but does not trigger a rebuild of the neighbourlist. Affects the usage of singlePeriodicCopy in nonbonded force.
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- 10 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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- 21 Oct, 2009 1 commit
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Peter Eastman authored
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- 19 Oct, 2009 1 commit
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Peter Eastman authored
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- 14 Oct, 2009 1 commit
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Peter Eastman authored
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- 10 Oct, 2009 1 commit
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Peter Eastman authored
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- 08 Oct, 2009 1 commit
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Peter Eastman authored
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- 06 Oct, 2009 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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- 01 Oct, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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