- 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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- 02 Feb, 2024 1 commit
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Peter Eastman authored
* Reference platform supports nested virtual sites * Common platform supports nested virtual sites * Fixed force distribution from nested virtual sites * Fixed test failures
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- 08 Sep, 2022 1 commit
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Peter Eastman authored
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- 22 Mar, 2022 1 commit
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Dann239 authored
* Prevent child integrators from accessing deleted context * Prevent reading property names from nullptr platform * Don't check properties in a loop, but only when there's a Platform * Clarified condition in "if" block Co-authored-by:Peter Eastman <peter.eastman@gmail.com>
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- 01 Mar, 2022 1 commit
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Peter Eastman authored
* DrudeLangevinIntegrator has getSystemTemperature() * DrudeNoseHooverIntegrator has getSystemTemperature() * StateDataReporter reports system temperature for Drude systems * Fixed incorrect return type
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- 16 Sep, 2021 1 commit
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Peter Eastman authored
* Allow querying current step count * Fixed error building Python wrapper
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- 21 Apr, 2020 1 commit
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peastman authored
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- 24 Oct, 2019 3 commits
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 03 Jul, 2017 1 commit
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peastman authored
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- 15 Jun, 2017 1 commit
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peastman authored
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- 14 Jun, 2017 1 commit
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peastman authored
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- 08 Jun, 2017 1 commit
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peastman authored
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- 24 May, 2017 1 commit
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Peter Eastman authored
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- 06 Mar, 2017 1 commit
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peastman authored
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- 06 Jan, 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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- 21 Apr, 2016 1 commit
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Peter Eastman authored
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- 15 Jan, 2016 1 commit
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Peter Eastman authored
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- 10 Sep, 2015 1 commit
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peastman authored
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- 06 Mar, 2015 1 commit
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peastman authored
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- 02 Dec, 2014 1 commit
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peastman authored
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- 14 Aug, 2014 1 commit
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John Chodera (MSKCC) authored
Updated Context::getParameter() and Context::setParameter() error messages to also print name of incorrect parameter to aid debugging.
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- 20 Apr, 2014 1 commit
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Robert McGibbon authored
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- 28 Mar, 2014 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
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- 06 Jan, 2014 1 commit
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peastman authored
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- 04 Jan, 2014 1 commit
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John Chodera authored
Added missing required kernel names (ApplyConstraintsKernel and VirtualSitesKernel) to check for platform capabilities, since these kernels are initialized in the next code block.
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- 13 Dec, 2013 1 commit
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peastman authored
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- 01 Oct, 2013 1 commit
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peastman authored
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- 01 Aug, 2013 1 commit
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peastman authored
Converted the routine for identifying molecules from a recursion to a loop. This avoids stack overflows with very long linear molecules.
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- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 12 Jan, 2013 1 commit
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Peter Eastman authored
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- 16 Nov, 2012 1 commit
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Peter Eastman authored
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- 30 Oct, 2012 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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- 21 Sep, 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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