mokit
MOKIT: Molecular Orbital KIT
MOKIT: Molecular Orbital KIT
To install this package, run one of the following:
MOKIT offers various utilities and modules to transfer MOs among various quantum chemistry software packages. Besides, the automr program in MOKIT can set up and run common multi-reference calculations in a black-box way.
Summary
MOKIT: Molecular Orbital KIT
Last Updated
Jan 10, 2026 at 16:50
License
Apache-2.0
Total Downloads
2.6K
Supported Platforms
GitHub Repository
https://gitlab.com/jxzou/mokitDocumentation
https://doc.mokit.xyz/