coarse-graining / cgnet

learning coarse-grained force fields
BSD 3-Clause "New" or "Revised" License
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Repulsion prefactor fix #203

Open nec4 opened 3 years ago

nec4 commented 3 years ago

Development:

Hello. This is a fix for the issue about the outer repulsion factor described in #199 . The original outer factor of 1/2 has been removed in order to be consistent with the literature. Please let me know if there is anything else that can be changed and/or improved.