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Search results for dft high throughput
dft
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high-throughput
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4 search results found
Quacc
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144
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Atomate2
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112
atomate2 is a library of computational materials science workflows
Aiida Fleur
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13
Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw.de) implementing DFT methods. This is a JuDFT effort see (www.judft.de).
Aiida Jutools
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5
Tools for simplifying daily work with the AiiDA workflow engine
1-4 of 4 search results
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