Differences

This shows you the differences between two versions of the page.

--- research:chemistry [2015/10/30 15:23]
kgovender
+++ research:chemistry [2025/12/09 15:27] (current)
alopis
@@ Line 1: / Line 1: @@
-======Chemistry======
+======Chemistry and Material Science======
-All chemistry and material science users at the CHPC should contact [[mailto:kgovender3@csir.ac.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:
-  * [[howto:gaussian|GAUSSIAN09]]
+  * [[howto:COMMERCIAL_CODES]] (**//Gaussian, Materials Studio, Schrodinger//**)
-  * [[howto:CP2K|CP2K_2.6.2]]
+  * **NOT SUPPORTED** [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]]
-  * [[howto:AMBER|AMBER12]]
+  * [[howto:AMBER|AMBER14, AMBER18 AND AMBER20]]
-  * [[howto:DISCOVERY_STUDIO|DISCOVERY_STUDIO]]
+  * [[howto:atat|ATAT]]
-  * [[howto:MATERIAL_STUDIO|MATERIAL_STUDIO]]
+  * [[howto:CHIMERA|CHIMERA]]
+  * [[howto:CP2K|CP2K]]
   * [[howto:dlpoly|DLPOLY]]
+  * [[howto:gromacs|GROMACS]]
+  * [[howto:LAMMPS|LAMMPS]]
+  * [[howto:NAMD|NAMD]]
+  * [[howto:NWCHEM|NWCHEM]]
+  * [[howto:ORCA|ORCA]]
   * [[howto:quantum_espresso|QUANTUM_ESPRESSO]]
+  * [[howto:vasp|VASP]]
+  * [[howto:VMD|VMD]]

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