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Visualization Tools

Qbics-Molstar

A web-based viewer which can be used online or locally.

One can view orbitals with the .fch file produced by MOKIT, following the instructions (Chinese). Other file formats like .mkl/.molden can also be used. MOKIT has been integrated to Qbics-Molstar as one of its backends. When the user loads any .mkl/.molden file in Qbics-Molstar, it would be automatically converted into .fch file and then visualized. The .molden file generated by more than 10 quantum chemistry software packages can be automatically identified and correctly processing:

CFOUR (only v2.1), CP2K, Dalton, (Open)Molcas, Molpro, MRCC, NWChem, ORCA, PSI4, PySCF, Turbomole.

Multiwfn

To be added.

VMD

To be added.