- 27 Mar, 2026 1 commit
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Peter Eastman authored
* Cache coefficients for long range correction * updateParametersInContext() clears cache
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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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- 10 Sep, 2024 1 commit
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Peter Eastman authored
* Unified lots of parallel computation code between platforms * Unified test code between platforms * Eliminated duplicated timing code
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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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- 02 Nov, 2021 1 commit
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Peter Eastman authored
* updateParametersInContext() can change tabulated functions * Fixed error in building C wrappers * updateParametersInContext() can change tabulated functions for CustomCentroidBondForce * CustomNonbondedForce can update tabulated functions * CustomGBForce can update tabulated functions * CustomManyParticleForce can update tabulated functions * CustomHbondForce can update tabulated functions
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- 24 Jun, 2020 2 commits
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Charlles Abreu authored
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Charlles Abreu authored
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- 05 Apr, 2020 1 commit
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Charlles Abreu authored
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- 10 Mar, 2018 1 commit
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peastman authored
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- 06 Sep, 2017 1 commit
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peastman authored
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- 07 Nov, 2016 1 commit
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Peter Eastman authored
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- 15 Aug, 2016 1 commit
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peastman authored
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- 22 Jul, 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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- 28 Mar, 2016 1 commit
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Peter Eastman authored
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- 24 Sep, 2015 1 commit
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Peter Eastman authored
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- 23 Sep, 2015 1 commit
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Peter Eastman authored
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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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- 19 Mar, 2015 1 commit
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peastman authored
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- 19 Feb, 2015 1 commit
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peastman authored
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- 30 Dec, 2014 1 commit
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Jason Swails authored
Reference platform.
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- 03 Dec, 2014 1 commit
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peastman authored
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- 06 Mar, 2014 1 commit
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peastman 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
- 05 Aug, 2013 1 commit
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peastman authored
Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
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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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- 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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- 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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