- 09 Feb, 2026 1 commit
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Peter Eastman authored
* API for querying devices * CUDA and HIP implementations of getDevices() * Fix test failures * Fix test failures * CUDA returns correct devices even if no context has been created * Return a single device for Reference and CPU * Fix CI failure
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- 25 Jul, 2025 1 commit
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Evan Pretti authored
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- 02 Oct, 2024 1 commit
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Marc Schuh authored
* added type checking for Simulation.step() * changed how to check if step is an integer number * allow for dicts to be returned from Reporter.describeNextReport remove deprecated getState parameters ( #4437 ) * convert old format into new format * update docstring * nested set comprehension to set.union * Allow 'periodic':None update describeNextReport in all occurrences in the code * debug * update documentation * add a reporter for energyParameterDerivative * Revert "add a reporter for energyParameterDerivative" This reverts commit 1d44dc3f60153defb6252ab56a3b85350fa24826. * Edit documentation
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- 13 Feb, 2024 1 commit
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Peter Eastman authored
* Can use getPlatform() instead of getPlatformByName() * More concise arguments for getState()
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- 19 Sep, 2023 1 commit
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Peter Eastman authored
* Implemented MinimizationReporter * PythonAPI for MinimizationReporter * Improved test case * SWIG fix * Reporter returns a bool instead of throwing an exception
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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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- 01 Feb, 2021 1 commit
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Peter Eastman authored
* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
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- 12 Nov, 2019 1 commit
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peastman authored
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- 08 Sep, 2017 1 commit
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peastman authored
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- 27 Jan, 2016 2 commits
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Jason Swails authored
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Jason Swails authored
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- 14 May, 2015 1 commit
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peastman authored
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- 13 May, 2015 1 commit
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peastman authored
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