lsmo-epfl

lsmo-epfl's repositories

The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net

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AiiDA workflows for the LSMO laboratory at EPFL

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zeo++ fork of the LSMO

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AiiDA plugin for zeo++

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Charge equilibration method for crystal structures

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AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

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AiiDA plugin for the DDEC code

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Resources for course CH-420 Understanding Advanced Molecular Simulation

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Interactive form for submitting new entries to the CURATED COFs database.

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Collection of compiled binaries for LSMO's computers

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Scripts to set up an AiiDA environment for LSMO members.

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