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CheMPS2 

CheMPS2 

Description

CheMPS2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry.

More information

- Homepage: https://github.com/SebWouters/CheMPS2

Available Versions of CheMPS2

Version

Module

Available on

Version

Module

Available on

1.8.12-foss-2022a

chem/CheMPS2/1.8.12-foss-2022a

Noctua 2

1.8.11-foss-2021b

chem/CheMPS2/1.8.11-foss-2021b

Noctua 2

This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.

Usage Hints for CheMPS2

If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.

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