Add parital charges for PEEK and PEKK

cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding

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Open chrisjonesBSU opened 2 years ago

chrisjonesBSU commented 2 years ago

Use Antefoyer to calcualte and add partial charges for PEEK and PEKK

chrisjonesBSU commented 2 years ago

PEKK monomer charges were added in #83, but not for PEEK. Leaving open for now.