Computational Codes: Difference between revisions

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


* [[GAUSSIAN]]
* [[CP2K]]
 
* [[DACAPO]]


* [[DL POLY]]
* [[DL POLY]]
* [[GAUSSIAN]]


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


* [[JAGUAR]]
* [[JAGUAR]]
* [[Maestro]]


* [[MACROMODEL]]
* [[MACROMODEL]]


* [[VASP]]
* [[Maestro]]


* [[DACAPO]]
* [[MATHEMATICA]]


* [[NWCHEM]]


----
* [[ORCA]]


* [[TeraChem]]


'''To be updated'''
* [[TURBOMOLE]]


Erik is in charge of updating the ADF section
* [[VASP]]
 
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
* [[YE_OLDE_EXTENDED_HUCKEL_CODES]] for Windows


Steven is in charge of updating the Ecce section


Gemma is in charge of updating the Molden section
List of useful software (with links for downloading) [http://psi-k.net/software/ Psi-k]

Latest revision as of 10:32, 27 May 2016