Sujet : New on CTAN: quantum-chemistry-bonn
De : petra (at) *nospam* ctan.org (CTAN Announcements)
Groupes : comp.text.texDate : 06. Jun 2025, 14:00:28
Autres entêtes
Organisation : CTAN
Message-ID : <aELmbHipVxmD6kKm@prptp>
Christian Selzer submitted the
quantum-chemistry-bonn
package.
Version: 0.1 2025-06-04
License: lppl1.3c
Summary description: Use consistent typsetting for quantum chemistry related software
Announcement text:
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We are pleased to announce **quantum-chemistry-bonn v0.1** — a
lightweight LaTeX package designed to streamline the formatting
of quantum-chemistry documents.
Instead of manually typing program names, method labels, or colored
highlights every time, **quantum-chemistry-bonn** provides a single,
centrally maintained style file that automatically formats:
* **QC program names** (e.g., ORCA, CENSO, Draco, CREST, xTB,
tblite) in consistent fonts
* **Custom color palette** matching University of Bonn branding
(bonnblue, bonnred, bonnyellow, bonngrey/bonngray, bonngreen, etc.)
* **Shorthand macros** for common scientific abbreviations (\etal,
\ie, \eg, \pka, \dgsolv, \kcalmol)
* **A unified `\method{…}` lookup** for quantum mechanical methods
(e.g., r²SCAN-3c) with case-insensitive keys and optional aliases
(e.g., both `\method{r2scan3c}` and `\method{rsc}` produce the
same output)
By loading `quantum-chemistry-bonn.sty`, authors can guarantee
uniform typography throughout manuscripts, posters, or presentations
— no more scattered ad-hoc macros.
Version 0.1 requires only the **xcolor, expl3, xparse **, and
**siunitx** packages; future updates will expand the dictionary
of supported methods and QC Programs.
**Download quantum-chemistry-bonn v0.1** from CTAN and simplify
your QC writings today!
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The package’s Catalogue entry can be viewed at
https://ctan.org/pkg/quantum-chemistry-bonnThe package’s files themselves can be inspected at
https://mirrors.ctan.org/macros/latex/contrib/quantum-chemistry-bonn/------------------------------------------------------------------------
Thanks for the upload.
For the CTAN Team
Petra Rübe-Pugliese
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