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CFOUR is added to the supported QC codes in README.md
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hjnpark committed Nov 27, 2024
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This is a geometry optimization code for molecular structures.
The code works by calling external software for the energy and
gradient through wrapper functions. Q-Chem, TeraChem, Psi4,
Molpro, and Gaussian 09/16 are supported quantum chemistry
Molpro, Gaussian 09/16, and CFOUR are supported quantum chemistry
codes through the command line interface. The PySCF and
QCArchive packages also provide interfaces to geomeTRIC for
optimization. MM optimizations using OpenMM and Gromacs are
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