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Name		Name	Last commit message	Last commit date
Latest commit fxcoudert Fix bug in certain cell types Apr 28, 2022 49d61d6 · Apr 28, 2022 History 46 Commits
BET_isotherm_fit		BET_isotherm_fit	Add BET fitting notebook	Jun 6, 2020
chemRxiv		chemRxiv	Make pythonic updates	Jan 20, 2020
Cij.py		Cij.py	Fix the missing x2 factors in cartesion => Voigt conversion (#8 )	Oct 18, 2018
LICENSE		LICENSE	Create LICENSE	Apr 13, 2019
README.md		README.md	Add text2doi	Mar 17, 2019
crystal2cif		crystal2cif	Fix bug for output files without space group	Jul 17, 2020
doi2bib		doi2bib	Add DOI and URL	Jul 17, 2020
extractdoi		extractdoi	Make more robust	Apr 22, 2016
findsym.py		findsym.py	Fix bug in certain cell types	Apr 28, 2022
texaccents		texaccents	texaccents: fix indentation	Nov 23, 2019
texsize		texsize	Add license	Jul 4, 2017
text2doi		text2doi	Add text2doi	Mar 17, 2019
unicode		unicode	Unicode tool	Mar 15, 2019

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FX's scripts for science and chemistry

This rep contains scripts that I use regularly, in the hope that others might find them useful. Below is a description of each, roughly classified by "category".

Bibliography

doi2bib: give it a DOI, it gives you a full bib entry
extractdoi: gets DOI from PDF (when possible)
texsize: list size of all figures included in TeX document
text2doi: get DOI from references in text format (one per line)

Computational chemistry

crystal2cif: extract information from CRYSTAL17 output file into CIF format
findsym.py: find space group of crystal structures (front-end to ASE/spglib routines)

Misc tools

unicode: display the characters in a Unicode string