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Resources
Hacker tools: https://www.youtube.com/watch?v=qw2c6ffSVOM&list=PLyzOVJj3bHQuiujH1lpn8cA9dsyulbYRv
Overleaf is an online collaborative LaTeX editor. LaTeX is typesetting software that is especially useful for writing scientific papers.
Whether you remote in to a server without any graphical environment or are on a desktop system, the command-line in a terminal is a powerful tool and a friend - here's a basic cheat sheet
The Free Software Foundation (FSF) has published a book on using the command line - it's available for free download as an EPUB, PDF, or you can buy a hard copy.
For desktop Linux, most of our group is using the popular Ubuntu. If you don't like the default desktop or are having performance issues (the default GNOME desktop is pretty resource-intensive), there are a number of alternatives. Here are some user-friendly guides on installing and testing the KDE and XFCE.
Another Linux distribution that is a bit more advanced and favored by Fuller is Fedora, which also uses GNOME by default but offers a significant number of alternative desktops.
N. B. This is not a comprehensive list of distributions or desktops.
The .bashrc
is a file in your home directory that contains commands and information that is loaded when starting a shell.
Based on the group's use of Anaconda and the directory structure we're using for our software, this template should work as a drop-in or at least get you started.
NIST Computational Chemistry Database: contains previously-computed geometries, frequencies, etc.