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research:chemistry [2022/08/10 13:59]
alopis 		research:chemistry [2025/12/09 15:27] (current)
alopis
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 ======Chemistry and Material Science====== ======Chemistry and Material Science======
  
-All chemistry and material science users at the CHPC should contact [[mailto:kgovender3@csir.co.za|Krishna Govender]] or [[mailto:ALopis@csir.co.za|Anton Lopis]] for any related queries.+All chemistry and material science users at the CHPC should contact [[mailto:ALopis@csir.co.za|Anton Lopis]] for any related queries.
 The following codes are supported at the CHPC: The following codes are supported at the CHPC:
 +  * [[howto:COMMERCIAL_CODES]] (**//Gaussian, Materials Studio, Schrodinger//**)
 +  * **NOT SUPPORTED** [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]]
 +  * [[howto:AMBER|AMBER14, AMBER18 AND AMBER20]]
 +  * [[howto:atat|ATAT]]
 +  * [[howto:CHIMERA|CHIMERA]]
   * [[howto:CP2K|CP2K]]   * [[howto:CP2K|CP2K]]
-  * [[howto:AMBER|AMBER14 AND AMBER18]] 
-  * Not Supported [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]] 
   * [[howto:dlpoly|DLPOLY]]   * [[howto:dlpoly|DLPOLY]]
-  * [[howto:quantum_espresso|QUANTUM_ESPRESSO]] 
-  * [[howto:atat|ATAT]] 
   * [[howto:gromacs|GROMACS]]   * [[howto:gromacs|GROMACS]]
-  * [[howto:vasp|VASP]] 
   * [[howto:LAMMPS|LAMMPS]]   * [[howto:LAMMPS|LAMMPS]]
   * [[howto:NAMD|NAMD]]   * [[howto:NAMD|NAMD]]
   * [[howto:NWCHEM|NWCHEM]]   * [[howto:NWCHEM|NWCHEM]]
   * [[howto:ORCA|ORCA]]   * [[howto:ORCA|ORCA]]
 +  * [[howto:quantum_espresso|QUANTUM_ESPRESSO]]
 +  * [[howto:vasp|VASP]]
   * [[howto:VMD|VMD]]   * [[howto:VMD|VMD]]
-  * [[howto:CHIMERA|CHIMERA]] + 
-  * [[howto:COMMERCIAL_CODES]] (Gaussian, Materials Studio, Schrodinger)+  
  
  
/app/dokuwiki/data/attic/research/chemistry.1660132794.txt.gz · Last modified: 2022/08/10 13:59 by alopis

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