Refactor CG simulation functionality

cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding

GNU General Public License v3.0

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Refactor CG simulation functionality #67

Closed chrisjonesBSU closed 2 years ago

chrisjonesBSU commented 2 years ago

This PR revamps the CG simulation initialization functionality. Previously, you could only load table potential files for pair potentials and were limited to harmonic potentials for bonds and angles. This PR now allows table potential files to be used for pairs, bonds and angles.