zorkzou/NBO2Molden

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2
Language
Fortran
Created about 9 years ago
Updated almost 7 years ago

zorkzou/NBO2Molden

zorkzou

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Converts NBO's plot files into Molden format

Molden2AIM

Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.

UniMoVib

a unified interface for molecular harmonic vibrational frequency calculations

G2C4

An interface program between Gaussian and CFour.

MultiState

An interface program of approximate spin-orbit coupling for spin-forbidden reactions involving multiple spin states.

RelEPro

A utility program to calculate one-electron properties based on the eXact 2-Component (X2C) all-electron quasi-relativistic Hamiltonian and its local approximations.

MolBO

Generate NBO-47 file from the output file of MOLPRO.

SGroup123

SGroup123 is a program to analyze space group symmetry for 1D, 2D, and 3D periodic systems.