- 02 Apr, 2025 1 commit
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Stefan Doerr authored
* add tests for correctness of step and time written in XTC and DCD * improve tests * improve xtc tests * fix XTC/DCD time/step writing * different approach by changing the reporters to not pass currentStep as firstStep but instead interval * undo change
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- 03 Dec, 2024 1 commit
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Peter Eastman authored
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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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- 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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- 04 Mar, 2017 1 commit
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peastman authored
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- 03 Mar, 2017 1 commit
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peastman authored
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- 28 Feb, 2017 1 commit
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peastman authored
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- 09 Nov, 2016 1 commit
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peastman authored
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- 14 Nov, 2014 3 commits
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Jason Swails authored
Make sure files are appropriately closed by PDBFile()
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Jason Swails authored
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Jason Swails authored
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- 13 Nov, 2014 1 commit
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Jason Swails authored
can't validate the that this object does anything more than simply write without exceptions (i.e., we can't tell if the DCD file is actually _valid_)
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