- 06 Nov, 2025 1 commit
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Peter Eastman authored
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- 23 Sep, 2025 1 commit
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Evan Pretti authored
* Replace SimTK-containing file headers * Update file headers for new Tinker reader files added
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- 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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- 24 Feb, 2024 1 commit
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Peter Eastman authored
* Minor optimization to validating exclusions * Optimizations to findMoleculeGroups()
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- 12 Apr, 2023 1 commit
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Peter Eastman authored
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- 19 May, 2022 1 commit
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Peter Eastman authored
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- 11 May, 2022 1 commit
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Peter Eastman authored
* Added FAQ links to error messages * Added missing Windows export
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- 27 Jan, 2022 1 commit
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Peter Eastman authored
* Reference implementation of computed values for CustomNonbondedForce * CPU implementation of computed values for CustomNonbondedForce * Common implementation of computed values for CustomNonbondedForce * Serialization of computed values * ForceField supports computed values
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- 12 Oct, 2021 1 commit
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Peter Eastman authored
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- 20 Sep, 2021 1 commit
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Peter Eastman authored
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- 22 Jun, 2017 1 commit
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peastman authored
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- 21 Sep, 2016 1 commit
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peastman authored
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- 06 Jul, 2016 1 commit
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peastman authored
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- 31 Oct, 2015 1 commit
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John Chodera (MSKCC) authored
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- 14 Jul, 2014 1 commit
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peastman authored
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- 27 Apr, 2014 1 commit
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Sam Mikes authored
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- 03 Mar, 2014 1 commit
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Jason Swails authored
CustomNonbondedForceImpl long-range correction.
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- 16 Oct, 2013 1 commit
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peastman authored
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- 13 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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- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 07 Jun, 2012 1 commit
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Peter Eastman authored
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- 14 May, 2012 1 commit
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Peter Eastman authored
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- 14 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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- 12 Aug, 2010 1 commit
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Peter Eastman authored
Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes to avoid redundant calculations when requesting a State with both forces and energies
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- 07 May, 2010 1 commit
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Peter Eastman authored
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- 06 Feb, 2010 1 commit
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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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- 22 Sep, 2009 1 commit
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Peter Eastman 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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- 14 Jul, 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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- 12 Nov, 2008 1 commit
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Peter Eastman authored
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- 22 Oct, 2008 1 commit
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Peter Eastman authored
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