openpathsampling/openpathsampling: openpathsampling 1.4.0
Published in Zenodo (CERN European Organization for Nuclear Research) • Dec 24, 2020
NobleIDNI3P85W20R33S79
Authors:,,
David W.H. Swenson
Jan-Hendrik Prinz
Sander Roet
Abstract
OpenPathSampling 1.4 introduces SimStore, our (experimental) new storage system. It is faster and more flexible than the old storage system, and will be the only storage in OPS 2.0. As an experimental addition, its API is not locked. However, the parts that are likely to change deal with extending S...
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