- 29 Aug, 2025 1 commit
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Peter Eastman authored
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- 15 Dec, 2023 1 commit
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Peter Eastman authored
* Faster algorithm for DrudeSCFIntegrator * Minor code simplification * Reduced default error tolerance * Fixed errors on NVIDIA
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- 11 Mar, 2022 1 commit
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Peter Eastman authored
* Max Drude distance defaults to 0.2 nm * Fixed incorrect number in docs * Fixed a test case
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- 18 Oct, 2021 1 commit
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Peter Eastman authored
* Added lots of checks for invalid parameter values * Fixed test failures * More checks for incorrect parameters * Fixed test failures
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- 27 Feb, 2020 1 commit
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Andy Simmonett authored
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- 10 Jun, 2015 1 commit
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Kyle Beauchamp authored
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- 23 May, 2013 1 commit
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peastman authored
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- 14 May, 2013 1 commit
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Peter Eastman authored
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- 03 Apr, 2013 1 commit
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Peter Eastman authored
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- 12 Jan, 2013 1 commit
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Peter Eastman authored
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- 25 Oct, 2012 1 commit
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Peter Eastman authored
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- 28 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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- 22 Mar, 2011 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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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 23 Jun, 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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- 20 Feb, 2009 1 commit
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Peter Eastman authored
Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.
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- 18 Feb, 2009 1 commit
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Mark Friedrichs authored
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- 18 Nov, 2008 1 commit
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Peter Eastman authored
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- 16 Oct, 2008 1 commit
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Peter Eastman authored
Changed how kernels get initialized. StandardMMForceField now has you set the 1-4 interactions explicitly. CMMotionRemover allows the removal frequency to be set.
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- 04 Jun, 2008 1 commit
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Peter Eastman authored
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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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