pyPRISM
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Published
20 hours ago •
usnistgov
usnistgov
A framework for conducting polymer reference interaction site model (PRISM) calculations
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pyPRISM issues
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It would be interesting to build in functionality that would allow the calculation of chain center-of-mass correlation functions from a solved PRISM object. See the below two papers for the...
feature request
It would be useful to save and load solved and unsolved PRISM problems from disk. Whether this would be best achieved by pickling the entire PRISM object or extracting the...
feature request