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Andrew-S-Rosen / mof_screen

High-throughput DFT of MOFs using ASE/VASP
MIT License
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Generalize ncore #2

Closed Andrew-S-Rosen closed 6 years ago

Andrew-S-Rosen commented 6 years ago

Currently, NCORE is set to 24. Instead, make it equal to the number of processors per node ppn.