Theochem wiki_theochem https://wiki.theochem.ru.nl/Main_Page MediaWiki 1.43.0 first-letter Media Special Talk User User talk Theochem Theochem talk File File talk MediaWiki MediaWiki talk Template Template talk Help Help talk Category Category talk 0 1 267 139 2024-03-02T10:22:49Z Gerritg 3 /* Practical hints for computer-related issues */ using git 267 wikitext text/x-wiki == Welcome to the wiki of the [https://www.theochem.ru.nl Theoretical and Computational Chemistry group] of [https://www.ru.nl/imm Institute of Molecules and Materials] of the [https://www.ru.nl Radboud University] == The purpose of this wiki is: * to provide practical information to members of our group * to help new members, students, trainees, and guests get started * to provide an entry point to find software and data from our group that is freely available To everyone in our group: feel free to login using your faculty of science account and add information that you wish you had when you started in our group. For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom] == Group meeting schedule == [https://wiki.theochem.ru.nl/Groupmeeting Group meeting schedule theoretical chemistry] == Practical hints for computer-related issues == * [https://wiki.theochem.ru.nl/Linux_configuration Initial setup of your linux account] * [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data] * [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)] * [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection] * [https://wiki.theochem.ru.nl/Comp:Windows Connecting to the cluster from a Windows computer] * [https://wiki.theochem.ru.nl/Comp:ssh Lots of ssh tricks] * [https://wiki.theochem.ru.nl/Comp:cluster_reservation <b>Our new cluster node reservation system</b>] * [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage] * [https://wiki.theochem.ru.nl/Comp:git Using git for version control] * [https://www.youtube.com/watch?v=QXjU9qTsYCc YouTube movie: how do computers read code?] Good explanation on compilers == Free software from our group == * [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules - Arthur Christianen <em>et al.</em>] * [https://www.theochem.ru.nl/~lkarssem/code.html Kinetic Monte simulations - Leenderjan Karssemeijer <em>et al.</em>] == Research-topic related pages == * [https://wiki.theochem.ru.nl/Research:astrochemistry Astrochemistry] == Links to manuals of software used in our group == * [https://lammps.sandia.gov/doc/Manual.html LAMMPS] * [https://www.plumed.org/doc-v2.6/user-doc/html/index.html PLUMED] * [https://www.molpro.net/ MOLPRO] * [https://www.vasp.at VASP] * [https://www.ks.uiuc.edu/Research/vmd/ VMD for visualization and data analysis] === Other computational chemistry software === * [https://wiki.fysik.dtu.dk/ase/ Atomic Simulation Environment (tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulation) ] == Getting started with Wikis == Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User's Guide] for information on using the wiki software. * [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages] * [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list] * [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ] * [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list] * [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language] * [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki] 2fm7ssgwhxtclxjepetnbcltcla8i9o