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ta-Qchem

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scripts for calculating, extracting and manipulating transient absorption calculations with QChem

GPL-3.0 license

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Name		Name	Last commit message	Last commit date
.vscode		.vscode
data		data
src/qextract		src/qextract
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
pyproject.toml		pyproject.toml
setup.cfg		setup.cfg
setup.py		setup.py

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Qchem Extract

This is a simple package written to extract dta obtained by Qchem ADC, CVS-ADC and FANO (ADC) calculations during my Masterthesis.

Use with care

only limited testing has been performed! Only used on UNIX systems till now.

About

scripts for calculating, extracting and manipulating transient absorption calculations with QChem

GPL-3.0 license

0 stars

1 watching

Report repository

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