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Published September 13, 2024 | Version v2.1.10
Software Open

trex2champ

  • 1. ROR icon University of Twente

Description

trex2champ is a tool that allows reading output files of quantum chemistry codes (GAMESS and trexio files) and writing input files for CHAMP in V3.0 format.

Files

trex2champ-2.1.10.zip

Files (144.7 kB)

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md5:d89cd3fb2b95a58298e51f852ad5b489
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Additional details

Related works

Is supplement to
Software: 10.5281/zenodo.11369538 (DOI)

Funding

TREX – Targeting Real chemical accuracy at the EXascale 952165
European Commission

Software

Repository URL
https://github.com/neelravi/trex2champ
Programming language
Python
Development Status
Active