- 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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- 22 Sep, 2015 1 commit
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Peter Eastman authored
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- 07 Jul, 2015 1 commit
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Peter Eastman authored
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- 05 Jan, 2015 1 commit
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Peter Eastman authored
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- 31 Jan, 2014 1 commit
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peastman authored
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs. Also fixed a few bugs.
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- 30 Jan, 2014 1 commit
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peastman authored
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- 29 Jan, 2014 1 commit
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peastman authored
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- 25 Jan, 2014 1 commit
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peastman authored
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- 24 Jan, 2014 1 commit
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peastman authored
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- 14 Aug, 2013 1 commit
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Peter Eastman authored
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- 13 Aug, 2013 2 commits
- 08 Aug, 2013 1 commit
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peastman authored
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- 07 Aug, 2013 1 commit
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peastman authored
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- 07 May, 2013 1 commit
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Peter Eastman authored
Long range correction for both NonbondedForce and CustomNonbondedForce takes the switching function into account
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- 06 May, 2013 1 commit
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Peter Eastman authored
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- 03 May, 2013 1 commit
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Peter Eastman authored
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- 31 Oct, 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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- 22 Jun, 2012 1 commit
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Peter Eastman authored
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- 20 Jun, 2012 1 commit
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Peter Eastman authored
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- 07 Jun, 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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- 10 Nov, 2011 1 commit
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Peter Eastman authored
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- 02 Sep, 2011 1 commit
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Peter Eastman authored
On Fermi, store forces as 64 bit fixed point and update with atomic operations. Also various other minor optimizations.
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- 07 Jul, 2011 1 commit
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Peter Eastman authored
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- 11 Oct, 2010 1 commit
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Peter Eastman authored
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- 10 May, 2010 1 commit
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Peter Eastman authored
Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
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- 07 May, 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
Use a consistent (and more accurate) value for electric constant everywhere. Also cleaned up handling of constants and units in various places.
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- 18 Nov, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 17 Nov, 2009 1 commit
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Peter Eastman authored
Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.
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- 03 Nov, 2009 1 commit
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Peter Eastman authored
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- 02 Nov, 2009 1 commit
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Peter Eastman authored
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- 30 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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- 21 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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- 11 Aug, 2009 1 commit
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Peter Eastman authored
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