cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
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Add PPS molecule to available compounds #52

Closed chrisjonesBSU closed 2 years ago

chrisjonesBSU commented 3 years ago

There's been quite a bit of talk about also looking at PPS (polyphenyl-sulfide). We should add a .json file for it to library/compounds and try a couple trial runs with it. It will be good to have it ready to go when needed.