DALTON

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Description

The Dalton program is designed to allow convenient, automated determination of a large number of molecular properties based on an HF, HF-srDFT, DFT, MP2, CC, CI, MCSCF, or MC-srDFT reference wave function.

License

The program is distributed under LGPL license.

Usage

module avail dalton/ # list available modules
module load dalton   # load (default) module

Documentation

https://daltonprogram.org/documentation/

Homepage

https://daltonprogram.org/