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Use masses defined in the forcefield XMLs instead of common elemental mass for atomistic systems

Open justinGilmer opened this issue 3 years ago • 1 comments

Describe the behavior you would like added to Foyer We should be able to use an atomistic forcefield and define masses to use in the forcefield XML file for foyer to use.

Describe the solution you'd like This is the current behavior for non-elemental beads, but it would be useful for users so we always know which mass is being used instead of relying on some underlying inference.

justinGilmer avatar Jun 18 '21 21:06 justinGilmer

seconded

daico007 avatar Aug 26 '21 18:08 daico007