/tools/MOKIT

MOKIT

1234zou/MOKIT

GitHub
toolquantum-chemistry
64 stars7 forksFortranWebsiteAdded February 4, 2026
summary

MOKIT is a software tool that facilitates the transfer of molecular orbitals between various quantum chemistry packages and automates multi-reference calculations. It provides utilities for users to perform complex quantum chemistry computations in a streamlined manner.

description

Orbital transfer and automatic multi-reference calculation for quantum chemistry

topics

quantum-chemistrycomputational-chemistry

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