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In sillico photochemistry group

6 followers
United Kingdom
https://in-silico-photochem.com/
@insilphotochem

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aiidalab-ispg aiidalab-ispg Public

ATMOSPEC: ab initio UV/vis spectroscopy for everyone

Python 4 4

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Showing 6 of 6 repositories

aiidalab-ispg-docker-stack Public
Dockerfile for ATMOSPEC AiidaLab app

Shell 0 MIT 0 6 0 Updated May 14, 2024
harmonwig Public
Harmonic Wigner sampling of molecules from ab initio QM calculations

Python 1 MIT 1 1 0 Updated May 6, 2024
aiidalab-ispg Public
ATMOSPEC: ab initio UV/vis spectroscopy for everyone

Python 4 MIT 4 42 7 Updated May 1, 2024
pydynpost Public
Postprocessing tools for nonadiabatic molecular dynamics methods

Python 1 MIT 2 1 2 Updated Feb 15, 2024
optimwidths Public
Tool for calculating the Gaussian width parameters of AIMS

Fortran 1 1 0 0 Updated Dec 6, 2023
bagel Public Forked from qsimulate-open/bagel
Brilliantly Advanced General Electronic-structure Library

C++ 0 GPL-3.0 43 0 0 Updated Nov 22, 2023

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