- 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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- 29 Aug, 2025 1 commit
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Peter Eastman authored
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- 29 Apr, 2024 1 commit
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Peter Eastman authored
* DrudeForce supports periodic boundary conditions * Fixed uninitialized memory
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- 17 Dec, 2023 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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- 15 Mar, 2022 1 commit
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Andreas Krämer authored
* computeDrudeTemperature * cleanup * revert drude temperature computation in DrudeNoseHoover
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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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- 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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- 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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- 04 May, 2020 1 commit
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Andy Simmonett authored
* Convert Nose-Hoover into LF middle scheme by copying NH kernels * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator * Consolidate NH tests * NoseHooverChainKernel begone * Make Windows builds happy * Add missing header for Windows build * Fix mistake in CommonKernels header * Add 6th Yoshida-Suzuki and make it the default
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- 27 Feb, 2020 4 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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Andy Simmonett authored
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- 07 Nov, 2019 1 commit
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Andy Simmonett authored
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- 04 Nov, 2019 1 commit
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Andy Simmonett authored
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- 01 Nov, 2019 1 commit
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Andy Simmonett authored
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- 24 Oct, 2019 5 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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Andy Simmonett authored
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Andy Simmonett authored
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- 21 Sep, 2016 1 commit
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peastman authored
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- 17 Sep, 2015 1 commit
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peastman authored
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- 10 Jun, 2015 1 commit
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Kyle Beauchamp authored
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- 10 Jan, 2015 1 commit
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Jason Swails authored
to 0 here as well.
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- 18 Nov, 2014 1 commit
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peastman authored
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- 05 Sep, 2014 1 commit
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peastman authored
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- 20 May, 2014 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
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- 01 May, 2014 1 commit
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peastman 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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