- 26 May, 2026 1 commit
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Peter Eastman authored
* More barostats support scaling particles independently * Documentation update * MonteCarloMembraneBarostat can scale particles independently
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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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- 28 Apr, 2025 1 commit
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Peter Eastman authored
* Added computeCurrentPressure() to MonteCarloBarostat * Use instantaneous temperature to compute pressure * Added computeCurrentPressure() to MonteCarloAnisotropicBarostat * Added computeCurrentPressure() to MonteCarloMembraneBarostat * Fixed compilation error * Fixed error in typemap * Added documentation on computing pressure * Fixed CUDA compilation errors * Made test case more robust * Made a test case more robust * Added computeCurrentPressure() to MonteCarloFlexibleBarostat * Fixed compilation error * More documentation on computing pressure
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- 13 Dec, 2022 1 commit
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Peter Eastman authored
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- 13 Jan, 2022 1 commit
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zhang-ivy authored
* fix barostat frequency check * fix other barostats * fix error messages
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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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- 21 Apr, 2016 1 commit
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Peter Eastman authored
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- 03 Jan, 2015 1 commit
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Jason Swails authored
rather than some pre-set seed generated at construction time. Any call to "setRandomNumberSeed" prevents this behavior (unless the generator is seeded with 0).
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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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- 12 Jun, 2013 2 commits
- 01 Jun, 2013 1 commit
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Lee-Ping authored
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- 31 May, 2013 1 commit
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Lee-Ping authored
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- 29 May, 2013 2 commits
- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 12 May, 2010 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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- 04 Nov, 2008 1 commit
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Peter Eastman authored
Implemented dynamic loading of platforms from DLLs. Also fixed a lot of compilation errors and warnings under Windows.
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- 13 May, 2008 1 commit
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Peter Eastman authored
Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen
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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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