- 18 Aug, 2020 1 commit
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peastman authored
* Updated to latest values for physical constants * Updated documentation on physical constants * Updated Python unit definitions * Fixed constants in test case * Added a comment
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- 28 Jul, 2020 1 commit
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peastman authored
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- 24 Jun, 2020 1 commit
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Charlles Abreu authored
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- 06 May, 2020 1 commit
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peastman authored
* Cleaned up checkpointing code for NoseHooverIntegrator * Fixed compilation error
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- 05 May, 2020 1 commit
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peastman authored
* Fixed OpenCL compiler errors * Fixed incorrect references to BAOAB * Fixed a method that was incorrectly made public
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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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- 28 Mar, 2020 2 commits
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Charlles Abreu authored
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Charlles Abreu authored
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- 25 Mar, 2020 1 commit
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Charlles Abreu authored
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- 21 Feb, 2020 1 commit
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peastman authored
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- 14 Feb, 2020 1 commit
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Peter Eastman authored
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- 04 Feb, 2020 1 commit
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Peter Eastman authored
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- 19 Nov, 2019 1 commit
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peastman authored
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- 07 Nov, 2019 1 commit
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Andy Simmonett authored
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- 24 Oct, 2019 6 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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Andy Simmonett authored
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- 21 Oct, 2019 1 commit
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peastman authored
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- 18 Oct, 2019 1 commit
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Peter Eastman authored
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- 08 Oct, 2019 1 commit
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Peter Eastman authored
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- 07 Oct, 2019 1 commit
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peastman authored
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- 11 Sep, 2019 1 commit
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peastman authored
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- 23 Jul, 2018 2 commits
- 17 Jul, 2018 1 commit
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peastman authored
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- 03 Jul, 2018 1 commit
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peastman authored
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- 20 Jun, 2018 1 commit
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peastman authored
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- 27 Apr, 2018 1 commit
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peastman authored
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- 22 Jan, 2018 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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- 08 Jun, 2017 1 commit
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peastman authored
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- 13 Jan, 2017 1 commit
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peastman authored
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- 19 Dec, 2016 2 commits
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 13 Dec, 2016 1 commit
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peastman authored
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- 01 Dec, 2016 1 commit
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Peter Eastman authored
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- 18 Nov, 2016 1 commit
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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