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Overview Repositories 8 Projects 0 Packages 0 Stars 2

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Overview Repositories 8 Projects 0 Packages 0 Stars 2

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All Jupyter Notebook Python C++ TeX

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Last updated Name Stars

Vibrations2D Public

Jupyter Notebook GNU General Public License v3.0 Updated Nov 27, 2024
pyadf-releases Public

PyADF - A scripting framework for multiscale quantum chemistry (public release versions)

Python 9 3 GNU General Public License v3.0 Updated Aug 6, 2024
LocVib Public

Python tools for localizing normal modes

computational-chemistry theoretical-spectroscopy vibrational-spectroscopy

Python 8 3 GNU General Public License v3.0 Updated Jul 17, 2023
Vibrations Public

Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy

computational-chemistry theoretical-spectroscopy vibrational-spectroscopy

Python 9 3 GNU General Public License v3.0 Updated Jul 4, 2023
xcholes Public

Plots of spin-state dependent XC holes

Jupyter Notebook BSD 2-Clause "Simplified" License Updated Sep 9, 2020
xcfun Public
Forked from dftlibs/xcfun

Exchange-Correlation functionals with arbitrary order derivatives.

C++ Mozilla Public License 2.0 Updated Aug 27, 2019
pyscf Public
Forked from pyscf/pyscf

Python module for quantum chemistry

Python 1 BSD 2-Clause "Simplified" License Updated Jan 20, 2016
dsa-latex Public
Forked from BildungBegabung/dsa-latex

Offizielle LaTeX-Vorlagen der Geschäftsstelle bei Bildung und Begabung gGmbH für Deutsche SchülerAkademien

TeX Updated Jul 27, 2015

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