Editing Input Files in vi: Hartree-Fock Method and XYZ Format

In course

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Description

This lecture covers the Hartree-Fock method, including input file editing in vi, Gaussian.com usage, and XYZ format for chemical files. It also explores Open Babel for chemical file conversion and basic Linux terminal activities.

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Official source

https://mediaspace.epfl.ch/media/0_gas27644

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Ontological neighbourhood

Chemistry

Computational chemistry: Topics in computational chemistry

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