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882 contributions in the last year

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Contribution activity

April 2025

Created 19 commits in 2 repositories

Created a pull request in openmm/openmm that received 13 comments

Added computeCurrentPressure() to MonteCarloBarostat

This adds a computeCurrentPressure() method to the barostat. It allows you to compute instantaneous pressure, using a finite difference to approxim…

+985 −58 lines changed 13 comments
Opened 2 other pull requests in 2 repositories
Reviewed 2 pull requests in 1 repository
openmm/openmm 2 pull requests
Answered 2 discussions in 1 repository
openmm/openmm
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