Sim bug fixes - Githubissues

coarse-graining / cgnet

learning coarse-grained force fields

BSD 3-Clause "New" or "Revised" License

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Closed brookehus closed 4 years ago

brookehus commented 4 years ago

Development:

Fixes some bugs in getting the Langevin simulation running on gpu. Please review with priority!

nec4 commented 4 years ago

all tests (including GPU) pass on Clementi cluster - LGTM!