Computational Codes: Difference between revisions

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==[[ADF]]==
* [[ADF]]


* [[CP2K]]


==[[GAUSSIAN]]==
* [[DACAPO]]


==[[DL POLY]]==
* [[DL POLY]]


==[[GROMACS]]==
* [[GAUSSIAN]]


==[[NWCHEM]]==
* [[GROMACS]]


==[[JAGUAR]]==
* [[JAGUAR]]


==[[Maestro]]==
* [[MACROMODEL]]


==[[MACROMODEL]]==
* [[Maestro]]


==VASP==
* [[MATHEMATICA]]


[[VASP]] [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html] [http://10.0.7.240/wiki/images/files/vasp/vasp.pdf]
* [[NWCHEM]]


==DACAPO==
* [[ORCA]]


[[DACAPO]] [http://dcwww.camp.dtu.dk/campos/Dacapo/manual/manual.html][http://dcwww.camp.dtu.dk/campos/Dacapo/documentation.html]
* [[TeraChem]]


==??==
* [[TURBOMOLE]]


[[G03]] [http://10.0.7.240/wiki/images/files/g03/www.gaussian.com]
* [[VASP]]


[[G98]] [http://10.0.7.240/wiki/images/files/g98/index.htm]
* [[YE_OLDE_EXTENDED_HUCKEL_CODES]] for Windows




******
List of useful software (with links for downloading) [http://psi-k.net/software/ Psi-k]
 
Erik is in charge of updating the ADF section
 
Ata is in charge of updating the NWChem &X Chem edit sections
 
Eva is in charge of updating Gromacs & Macromodel
 
Pere is in charge of updating the DLPoly, ADFView & VMD sections
 
Christophe is in charge of updating the Jaguar section
 
Alfons is in charge of updating the Macromodel, Maestro & Gausview sections
 
Mónica is in charge of updating the Crysden section
 
Jaime is in charge of updating the P4H section
 
Steven is in charge of updating the Ecce section
 
Gemma is in charge of updating the Molden section

Latest revision as of 10:32, 27 May 2016