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bskinn / run_jensen

Automation of ORCA M-L computations in the vein of Jensen, J Chem Phys 126, 014103 (2007)
MIT License
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Convert substitutions in ORCA calls to dict #17

Open bskinn opened 9 years ago

bskinn commented 9 years ago

subs argument to opan.utils.template_subst changed to a dict in [commit]. Must adapt the code to accommodate.