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SPARC-X / SPARC-X-API

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Adding examples for run_mode_b for simulations of type singlepoint, r… #53

Closed ltimmerman3 closed 1 month ago

ltimmerman3 commented 1 month ago

…elax, md, and metadynamics. Updated docparser.py to reflect manual names in most recent version of SPARC and dev_SPARC.