Beast code in Giters

Yann Pouillon's repositories

Development environments for Python applications.

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Data plotting extension for Dokuwiki

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Docker images to produce documentation.

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Shared Docker images for atomistic simulations.

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Create Graphviz graphs from within DokuWiki

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A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

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Lua scripts for interfacing SIESTA to Lua scripts using the flook code

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A simple library for parsing CIF files for electronic structure codes

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Electronic Structure Common Data Format Library

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Libint: high-performance library for computing Gaussian integrals in quantum mechanics

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Universal markup converter

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Poetry plugin to export the dependencies to various formats

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Library to read and write multiple pseudopotential formats

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Consistent set of SIESTA dependencies to facilitate the deployment of all the involved packages, based on the ESL Bundle.

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