Difference between revisions of "Supercell"

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==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
 
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Revision as of 21:24, 6 December 2019

Description

supercell website  

Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals.

Required Modules

Serial

  • supercell

System Variables

  • HPC_SUPERCELL_DIR - installation directory




Citation

If you publish research that uses supercell you have to cite it as follows:

Okhotnikov, K., Charpentier, T., & Cadars, S. (2016). Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. Journal of Cheminformatics, 8(1), 17.