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USCCACS / RXMD

RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
https://magics.usc.edu/rxmd/
GNU General Public License v3.0
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handle atom type in geninit.f90 and PDB automatically #16

Closed KenichiNomura closed 7 years ago

KenichiNomura commented 7 years ago

Done. rxmd and geninit read ffield to figure out atom names.

https://github.com/USCCACS/rxmd/commit/e62860cf89cd678c060534659dab5f93ac6e95d0 https://github.com/USCCACS/rxmd/commit/c420359ff3b406089dc11394e6ddbaa149bebf0f