OpenPathSampling (@pathsampling) 's Twitter Profile
OpenPathSampling

@pathsampling

A Python package for path sampling simulations.

ID: 887837039349166082

linkhttp://openpathsampling.org calendar_today20-07-2017 00:50:20

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OpenPathSampling (@pathsampling) 's Twitter Profile Photo

Happy New Year! Start it off with the new release (v0.2) of the OPS command line interface. The new command `md` runs until a trajectory matches the given ensemble; great for setting up sims. Also new: support for SimStore files. github.com/openpathsampli…