python-ase

Description

ASE is an Atomic Simulation Environment written in the Python programming language with the aim of setting up, stearing, and analyzing atomic simulations. ASE is part of CAMPOS, the CAMP Open Source project.

ASE contains Python interfaces to several different electronic structure codes including Abinit, Asap, Dacapo, Elk, GPAW and SIESTA.

This package provides the Python 2 modules.

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Homepage

https://wiki.fysik.dtu.dk/ase/

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Install this software package

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Install python-ase