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	<id>https://wiki.theochem.ru.nl/api.php?action=feedcontributions&amp;feedformat=atom&amp;user=Hcuppen</id>
	<title>Theochem - User contributions [en]</title>
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	<updated>2026-04-28T11:12:35Z</updated>
	<subtitle>User contributions</subtitle>
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	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:Windows&amp;diff=27</id>
		<title>Comp:Windows</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:Windows&amp;diff=27"/>
		<updated>2021-01-25T14:30:14Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: /* MobaXterm */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;There are several ways to connect to the clusters from a windows computer.&lt;br /&gt;
&lt;br /&gt;
== MobaXterm ==&lt;br /&gt;
# Install [https://mobaxterm.mobatek.net/download.html MobaXterm] &lt;br /&gt;
# Create a [https://wiki.cncz.science.ru.nl/Vpn a VPN connection]&lt;br /&gt;
# Connect through the created VPN&lt;br /&gt;
# Go to MobaXterm and start a new terminal&lt;br /&gt;
# Type  &lt;br /&gt;
   ssh -Y username@cn#.science.ru.nl  &lt;br /&gt;
username is your science account login, # = number of the cluster you want to connect to.&lt;br /&gt;
# If you are connecting for the first time it will ask you several questions. Say no to remembering your password and yes to adding the connection to the list of hosts.&lt;br /&gt;
# Enter your password&lt;br /&gt;
&lt;br /&gt;
Note: The x-server in Mobaxterm is used to output graphical stuff on your Windows Screen, therefore it is problematic to ssh through servers.&lt;br /&gt;
&lt;br /&gt;
== Windows Subsystem for Linux and Ubuntu ==&lt;br /&gt;
On Windows 10:&lt;br /&gt;
# Go to Control Panel -&amp;gt; Programs and Features -&amp;gt;  Turn Windows features on or off (top left) -&amp;gt;  Tick Windows Subsystem for Linux -&amp;gt; Click Ok and Restart.&lt;br /&gt;
# Go to the Microsoft store and get Ubuntu 18.04 (or whatever is new now)   &lt;br /&gt;
# Launch Ubuntu, create a username and a password&lt;br /&gt;
# Enjoy your virtual machine&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=26</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=26"/>
		<updated>2020-11-09T16:27:30Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: /* Practical hints for computer-related issues */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data]&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
* [https://www.youtube.com/watch?v=QXjU9qTsYCc YouTube movie: how do computers read code?] Good explanation on compilers&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Research-topic related pages ==&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Research:astrochemistry Astrochemistry] &lt;br /&gt;
&lt;br /&gt;
== Links to manuals of software used in our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://lammps.sandia.gov/doc/Manual.html LAMMPS]&lt;br /&gt;
* [https://www.plumed.org/doc-v2.6/user-doc/html/index.html PLUMED]&lt;br /&gt;
* [https://www.molpro.net/ MOLPRO]&lt;br /&gt;
* [https://cms.mpi.univie.ac.at/marsweb VASP]&lt;br /&gt;
* [https://www.ks.uiuc.edu/Research/vmd/ VMD for visualization and data analysis]&lt;br /&gt;
&lt;br /&gt;
=== Other computational chemistry software ===&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.fysik.dtu.dk/ase/ Atomic Simulation Environment (tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulation) ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with programming and Linux ==&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=25</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=25"/>
		<updated>2020-11-04T10:35:11Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: /* Links to manuals of software used in our group */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data]&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Research-topic related pages ==&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Research:astrochemistry Astrochemistry] &lt;br /&gt;
&lt;br /&gt;
== Links to manuals of software used in our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://lammps.sandia.gov/doc/Manual.html LAMMPS]&lt;br /&gt;
* [https://www.plumed.org/doc-v2.6/user-doc/html/index.html PLUMED]&lt;br /&gt;
* [https://www.molpro.net/ MOLPRO]&lt;br /&gt;
* [https://cms.mpi.univie.ac.at/marsweb VASP]&lt;br /&gt;
* [https://www.ks.uiuc.edu/Research/vmd/ VMD for visualization and data analysis]&lt;br /&gt;
&lt;br /&gt;
=== Other computational chemistry software ===&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.fysik.dtu.dk/ase/ Atomic Simulation Environment (tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulation) ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with programming and Linux ==&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=24</id>
		<title>Research:astrochemistry</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=24"/>
		<updated>2020-11-04T10:29:23Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: /* Photodissociation rates and cross sections */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Databases for astrochemistry ==&lt;br /&gt;
&lt;br /&gt;
=== Reaction databases ===&lt;br /&gt;
&lt;br /&gt;
* [http://udfa.ajmarkwick.net/ UMIST]&lt;br /&gt;
* [http://kida.astrophy.u-bordeaux.fr/ KIDA : KInetic Database for Astrochemistry]&lt;br /&gt;
* [http://kinetics.nist.gov/ NIST]&lt;br /&gt;
&lt;br /&gt;
=== Photodissociation rates and cross sections ===&lt;br /&gt;
&lt;br /&gt;
* [https://doi.org/10.1051/0004-6361/201628742  Paper: Photodissociation and photoionisation of atoms and molecules of astrophysical interest]&lt;br /&gt;
* [https://arxiv.org/pdf/1106.3917.pdf Paper: Molecular photodissociation]&lt;br /&gt;
* [https://www.science-softcon.de/spectra/lit-service.php UV/Vis+ Photochemistry Database]&lt;br /&gt;
* [https://phidrates.space.swri.edu/ PHoto Ionization/Dissociation RATES]&lt;br /&gt;
* [http://satellite.mpic.de/spectral_atlas/ The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules of Atmospheric Interest]&lt;br /&gt;
&lt;br /&gt;
=== Databases with reaction enthalpies ===&lt;br /&gt;
&lt;br /&gt;
* [https://atct.anl.gov/ Active Thermochemical Tables (ATcT) version 1.122g]&lt;br /&gt;
* [http://janaf.nist.gov/ NIST-JANAF Thermochemical Tables]&lt;br /&gt;
&lt;br /&gt;
== Chemical models ==&lt;br /&gt;
&lt;br /&gt;
* [https://github.com/vtaquet/momice MOMICE: MOdel for Multiphase Ice ChEmistry]&lt;br /&gt;
* [http://udfa.ajmarkwick.net/index.php?mode=downloads Simple gas phase model of UMIST]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=23</id>
		<title>Research:astrochemistry</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=23"/>
		<updated>2020-11-04T10:28:56Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Databases for astrochemistry ==&lt;br /&gt;
&lt;br /&gt;
=== Reaction databases ===&lt;br /&gt;
&lt;br /&gt;
* [http://udfa.ajmarkwick.net/ UMIST]&lt;br /&gt;
* [http://kida.astrophy.u-bordeaux.fr/ KIDA : KInetic Database for Astrochemistry]&lt;br /&gt;
* [http://kinetics.nist.gov/ NIST]&lt;br /&gt;
&lt;br /&gt;
=== Photodissociation rates and cross sections ===&lt;br /&gt;
&lt;br /&gt;
* [https://doi.org/10.1051/0004-6361/201628742  Paper: Photodissociation and photoionisation of atoms and molecules of astrophysical interest]&lt;br /&gt;
* [https://arxiv.org/pdf/1106.3917.pdf Paper: https://arxiv.org/pdf/1106.3917.pdf]&lt;br /&gt;
* [https://www.science-softcon.de/spectra/lit-service.php UV/Vis+ Photochemistry Database]&lt;br /&gt;
* [https://phidrates.space.swri.edu/ PHoto Ionization/Dissociation RATES]&lt;br /&gt;
* [http://satellite.mpic.de/spectral_atlas/ The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules of Atmospheric Interest]&lt;br /&gt;
&lt;br /&gt;
=== Databases with reaction enthalpies ===&lt;br /&gt;
&lt;br /&gt;
* [https://atct.anl.gov/ Active Thermochemical Tables (ATcT) version 1.122g]&lt;br /&gt;
* [http://janaf.nist.gov/ NIST-JANAF Thermochemical Tables]&lt;br /&gt;
&lt;br /&gt;
== Chemical models ==&lt;br /&gt;
&lt;br /&gt;
* [https://github.com/vtaquet/momice MOMICE: MOdel for Multiphase Ice ChEmistry]&lt;br /&gt;
* [http://udfa.ajmarkwick.net/index.php?mode=downloads Simple gas phase model of UMIST]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=22</id>
		<title>Research:astrochemistry</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Research:astrochemistry&amp;diff=22"/>
		<updated>2020-11-04T10:15:34Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: Created page with &amp;quot;== Databases for astrochemistry ==  === Reaction databases ===  * [http://udfa.ajmarkwick.net/ UMIST] * [http://kida.astrophy.u-bordeaux.fr/ KIDA : KInetic Database for Astroc...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Databases for astrochemistry ==&lt;br /&gt;
&lt;br /&gt;
=== Reaction databases ===&lt;br /&gt;
&lt;br /&gt;
* [http://udfa.ajmarkwick.net/ UMIST]&lt;br /&gt;
* [http://kida.astrophy.u-bordeaux.fr/ KIDA : KInetic Database for Astrochemistry]&lt;br /&gt;
* [http://kinetics.nist.gov/ NIST]&lt;br /&gt;
&lt;br /&gt;
=== Photodissociation databases ===&lt;br /&gt;
&lt;br /&gt;
=== Databases with reaction enthalpies ===&lt;br /&gt;
&lt;br /&gt;
* [https://atct.anl.gov/ Active Thermochemical Tables (ATcT) version 1.122g]&lt;br /&gt;
* [http://janaf.nist.gov/ NIST-JANAF Thermochemical Tables]&lt;br /&gt;
&lt;br /&gt;
== Chemical models ==&lt;br /&gt;
&lt;br /&gt;
* [https://github.com/vtaquet/momice MOMICE: MOdel for Multiphase Ice ChEmistry]&lt;br /&gt;
* [http://udfa.ajmarkwick.net/index.php?mode=downloads Simple gas phase model of UMIST]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=21</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=21"/>
		<updated>2020-11-04T10:06:43Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data]&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Research-topic related pages ==&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Research:astrochemistry Astrochemistry] &lt;br /&gt;
&lt;br /&gt;
== Links to manuals of software used in our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://lammps.sandia.gov/doc/Manual.html LAMMPS]&lt;br /&gt;
* [https://www.plumed.org/doc-v2.6/user-doc/html/index.html PLUMED]&lt;br /&gt;
* [https://www.molpro.net/ MOLPRO]&lt;br /&gt;
* [https://cms.mpi.univie.ac.at/marsweb VASP]&lt;br /&gt;
&lt;br /&gt;
== Getting started with programming and Linux ==&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=19</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=19"/>
		<updated>2020-11-03T08:38:55Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data]&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Links to manuals of software used in our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://lammps.sandia.gov/doc/Manual.html LAMMPS]&lt;br /&gt;
* [https://www.plumed.org/doc-v2.6/user-doc/html/index.html PLUMED]&lt;br /&gt;
* [https://www.molpro.net/ MOLPRO]&lt;br /&gt;
&lt;br /&gt;
== Getting started with programming and Linux ==&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:clusters&amp;diff=18</id>
		<title>Comp:clusters</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:clusters&amp;diff=18"/>
		<updated>2020-11-02T15:11:34Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;[https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
&lt;br /&gt;
Runs on this machine should go via a queue system. First read [https://wiki.cncz.science.ru.nl/Slurm the wiki-page of CNCZ] about its usage.&lt;br /&gt;
&lt;br /&gt;
Our partition is &lt;br /&gt;
  thchem.&lt;br /&gt;
How to send things to a cluster depends a bit on how data heavy your job is. For simulations with large trajectory files (lammps, vasp) you typically send them to a specific cluster node (with the flag -w). Here also the restart files/input data can be rather large.&lt;br /&gt;
The simulations are then run from the /scratch or /scratch2 partition. These partition are local on the cluster and are only locally accessible from the specific node. This makes them faster in writing and less dependable on the network. &lt;br /&gt;
Always make a directory with your login name from which you will work (with subdirectories). Look [https://www.theochem.ru.nl/DMP.html here] for more information to use scratch.&lt;br /&gt;
For other jobs you would like slurm to decide which clusternode will be best to use. In this case you do not use the -w flag. Here you need to make sure that all clusternodes have access to your files and you have to start your script from a subdirectory of your home directory.&lt;br /&gt;
&lt;br /&gt;
Since we have many cluster with a smaller number of cores, it is sometimes hard for jobs that require many processors from the same node to start. This can be if many single-core jobs are running on many different nodes. For this reason it is possible to claim a clusternode for some time. This is done on Slack with the yoink-app. Before you submit a job, check under #cluster-usage which nodes are claimed or not. You can only communicate with yoinkbot in the #cluster-usage channel and by direct message.&lt;br /&gt;
To claim a resource:&lt;br /&gt;
  /yoink cn** [message] [lock duration]&lt;br /&gt;
To release a resource:&lt;br /&gt;
  /release cn**&lt;br /&gt;
With a direct message to yoinkbot &amp;quot;resources list&amp;quot; you get a list with all claimed resources or by typing&lt;br /&gt;
  &amp;quot;/dm @yoinkbot resources list&amp;quot;&lt;br /&gt;
in #cluster-usage&lt;br /&gt;
&lt;br /&gt;
The first time a cluster node is claimed it will ask you whether you want to create this. Just confirm. &lt;br /&gt;
For electrostructure calculations, the output is typically small (can be in home), but the program needs to store large intermediate files (put on scratch, make sure they are deleted at the end of simulation).&lt;br /&gt;
&lt;br /&gt;
Ask for example slurm scripts to someone who run similar jobs.&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:clusters&amp;diff=17</id>
		<title>Comp:clusters</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:clusters&amp;diff=17"/>
		<updated>2020-11-02T15:03:18Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: Created page with &amp;quot;[https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]  Runs on this machine should go via a queue system. First read [https://wiki.cncz.science.ru.n...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;[https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
&lt;br /&gt;
Runs on this machine should go via a queue system. First read [https://wiki.cncz.science.ru.nl/Slurm the wiki-page of CNCZ] about its usage.&lt;br /&gt;
&lt;br /&gt;
Our partition is &lt;br /&gt;
  thchem.&lt;br /&gt;
How to send things to a cluster depends a bit on how data heavy your job is. For simulations with large trajectory files (lammps, vasp) you typically send them to a specific cluster node (with the flag -w). Here also the restart files/input data can be rather large.&lt;br /&gt;
The simulations are then run from the /scratch or /scratch2 partition. These partition are local on the cluster and are only locally accessible from the specific node. This makes them faster in writing and less dependable on the network. &lt;br /&gt;
Always make a directory with your login name from which you will work (with subdirectories). Look [https://www.theochem.ru.nl/DMP.html here] for more information to use scratch.&lt;br /&gt;
For other jobs you would like slurm to decide which clusternode will be best to use. In this case you do not use the -w flag. Here you need to make sure that all clusternodes have access to your files and you have to start your script from a subdirectory of your home directory.&lt;br /&gt;
&lt;br /&gt;
Look also on slack #cluster-usage to see which nodes are claimed or not. You can only communicate with yoinkbot in the #cluster-usage channel and by direct message.&lt;br /&gt;
To claim a resource:&lt;br /&gt;
  /yoink cn** [message] [lock duration]&lt;br /&gt;
To release a resource:&lt;br /&gt;
  /release cn**&lt;br /&gt;
With a direct message to yoinkbot &amp;quot;resources list&amp;quot; you get a list with all claimed resources or by typing&lt;br /&gt;
  &amp;quot;/dm @yoinkbot resources list&amp;quot;&lt;br /&gt;
in #cluster-usage&lt;br /&gt;
&lt;br /&gt;
The first time a cluster node is claimed it will ask you whether you want to create this. Just confirm. &lt;br /&gt;
For electrostructure calculations, the output is typically small (can be in home), but the program needs to store large intermediate files (put on scratch, make sure they are deleted at the end of simulation).&lt;br /&gt;
&lt;br /&gt;
Ask for example slurm scripts to someone who run similar jobs.&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=16</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=16"/>
		<updated>2020-11-02T15:01:33Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://www.theochem.ru.nl/DMP.html Our data management plan with info on how and where to store data]&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=15</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=15"/>
		<updated>2020-11-02T14:57:45Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://cricket.science.ru.nl/ List with clustermachines (Only works with vpn)]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:Windows&amp;diff=14</id>
		<title>Comp:Windows</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:Windows&amp;diff=14"/>
		<updated>2020-11-02T14:55:18Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: Created page with &amp;quot;There are several ways to connect to the clusters from a windows computer.  == MobaXterm == # Install [https://mobaxterm.mobatek.net/download.html MobaXterm]  # Create a [http...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;There are several ways to connect to the clusters from a windows computer.&lt;br /&gt;
&lt;br /&gt;
== MobaXterm ==&lt;br /&gt;
# Install [https://mobaxterm.mobatek.net/download.html MobaXterm] &lt;br /&gt;
# Create a [https://wiki.cncz.science.ru.nl/Vpn a VPN connection]&lt;br /&gt;
# Connect through the created VPN&lt;br /&gt;
# Go to MobaXterm and start a new terminal&lt;br /&gt;
# Type  &lt;br /&gt;
   ssh username@cn#.science.ru.nl  &lt;br /&gt;
username is your science account login, # = number of the cluster you want to connect to.&lt;br /&gt;
# If you are connecting for the first time it will ask you several questions. Say no to remembering your password and yes to adding the connection to the list of hosts.&lt;br /&gt;
# Enter your password&lt;br /&gt;
&lt;br /&gt;
Note: The x-server in Mobaxterm is used to output graphical stuff on your Windows Screen, therefore it is problematic to ssh through servers.&lt;br /&gt;
&lt;br /&gt;
== Windows Subsystem for Linux and Ubuntu ==&lt;br /&gt;
On Windows 10:&lt;br /&gt;
# Go to Control Panel -&amp;gt; Programs and Features -&amp;gt;  Turn Windows features on or off (top left) -&amp;gt;  Tick Windows Subsystem for Linux -&amp;gt; Click Ok and Restart.&lt;br /&gt;
# Go to the Microsoft store and get Ubuntu 18.04 (or whatever is new now)   &lt;br /&gt;
# Launch Ubuntu, create a username and a password&lt;br /&gt;
# Enjoy your virtual machine&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=13</id>
		<title>Comp:VPN</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=13"/>
		<updated>2020-11-02T14:48:43Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;We refer to [https://wiki.cncz.science.ru.nl/Vpn the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.&lt;br /&gt;
&lt;br /&gt;
Below are some more extra tips.&lt;br /&gt;
&lt;br /&gt;
== Using an ssh-shuttle ==&lt;br /&gt;
You can setup an ssh-shuttle in a terminal by&lt;br /&gt;
&lt;br /&gt;
  sshuttle --dns -vvr username@lilo.science.ru.nl 0/0 -x lilo.science.ru.nl --python /usr/bin/python&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=12</id>
		<title>Comp:VPN</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=12"/>
		<updated>2020-11-02T14:48:19Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;We refer to [https://wiki.cncz.science.ru.nl/Vpn3 the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.&lt;br /&gt;
&lt;br /&gt;
Below are some more extra tips.&lt;br /&gt;
&lt;br /&gt;
== Using an ssh-shuttle ==&lt;br /&gt;
You can setup an ssh-shuttle in a terminal by&lt;br /&gt;
&lt;br /&gt;
  sshuttle --dns -vvr username@lilo.science.ru.nl 0/0 -x lilo.science.ru.nl --python /usr/bin/python&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=11</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=11"/>
		<updated>2020-11-02T14:25:28Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hints for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:VPN Setting up a VPN connection]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:Windows Connected to the cluster from a Windows computer]&lt;br /&gt;
* [https://wiki.theochem.ru.nl/Comp:clusters Practical tips for cluster usage]&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=10</id>
		<title>Comp:VPN</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=10"/>
		<updated>2020-11-02T14:22:58Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;We refer to [https://wiki.cncz.science.ru.nl/Vpn the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.&lt;br /&gt;
&lt;br /&gt;
Below are some more extra tips.&lt;br /&gt;
&lt;br /&gt;
== Using an ssh-shuttle ==&lt;br /&gt;
You can setup an ssh-shuttle in a terminal by&lt;br /&gt;
&lt;br /&gt;
  sshuttle --dns -vvr username@lilo.science.ru.nl 0/0 -x lilo.science.ru.nl --python /usr/bin/python&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=9</id>
		<title>Comp:VPN</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=9"/>
		<updated>2020-11-02T14:20:14Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;We refer to [https://wiki.cncz.science.ru.nl/Vpn the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.&lt;br /&gt;
&lt;br /&gt;
Below are some more extra tips.&lt;br /&gt;
&lt;br /&gt;
== Using an ssh-shuttle ==&lt;br /&gt;
You can setup an ssh-shuttle in a terminal by&lt;br /&gt;
&amp;lt;no-wiki&amp;gt;&lt;br /&gt;
sshuttle --dns -vvr username@lilo.science.ru.nl 0/0 -x lilo.science.ru.nl --python /usr/bin/python&lt;br /&gt;
&amp;lt;\no-wiki&amp;gt;&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=8</id>
		<title>Comp:VPN</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Comp:VPN&amp;diff=8"/>
		<updated>2020-11-02T14:14:45Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: Created page with &amp;quot;We refer to [https://wiki.cncz.science.ru.nl/Vpn the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.  B...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;We refer to [https://wiki.cncz.science.ru.nl/Vpn the wiki-page of CNCZ] for more information on how to set-up a VPN connection to login to our compute servers for instance.&lt;br /&gt;
&lt;br /&gt;
Below are some more extra tips to use&lt;br /&gt;
&lt;br /&gt;
== Using an ssh-shuttle ==&lt;br /&gt;
&lt;br /&gt;
sshuttle --dns -vvr loginname@lilo.science.ru.nl 0/0 -x lilo.science.ru.nl --python /usr/bin/python&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=7</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=7"/>
		<updated>2020-11-02T14:11:14Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hint for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* [ Setting up a VPN connection]&lt;br /&gt;
* []&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
	<entry>
		<id>https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=6</id>
		<title>Main Page</title>
		<link rel="alternate" type="text/html" href="https://wiki.theochem.ru.nl/index.php?title=Main_Page&amp;diff=6"/>
		<updated>2020-11-02T14:00:42Z</updated>

		<summary type="html">&lt;p&gt;Hcuppen: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;br /&gt;
== 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] ==&lt;br /&gt;
&lt;br /&gt;
The purpose of this wiki is:&lt;br /&gt;
* to provide practical information to members of our group&lt;br /&gt;
* to help new members, students, trainees, and guests get started&lt;br /&gt;
* to provide an entry point to find software and data from our group that is freely available&lt;br /&gt;
&lt;br /&gt;
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.&lt;br /&gt;
&lt;br /&gt;
For questions: contact [https://www.theochem.ru.nl/~hcuppen Prof. Herma Cuppen] and [https://www.theochem.ru.nl/~gerritg Prof. Gerrit C. Groenenboom]&lt;br /&gt;
&lt;br /&gt;
== Practical hint for computer-related issues ==&lt;br /&gt;
&lt;br /&gt;
* []&lt;br /&gt;
&lt;br /&gt;
== Free software from our group ==&lt;br /&gt;
&lt;br /&gt;
* [https://gitlab.science.ru.nl/theochem/density-of-states Classical density-of-states complex of diatomic molecules ]&lt;br /&gt;
&lt;br /&gt;
== Getting started with Wikis ==&lt;br /&gt;
&lt;br /&gt;
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User&#039;s Guide] for information on using the wiki software.&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Help:Formatting Quick start on formatting Wiki pages]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]&lt;br /&gt;
* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Localisation#Translation_resources Localise MediaWiki for your language]&lt;br /&gt;
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Combating_spam Learn how to combat spam on your wiki]&lt;/div&gt;</summary>
		<author><name>Hcuppen</name></author>
	</entry>
</feed>