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ferchault / APDFT

APDFT calculates quantumchemical results for many molecules at once.
https://ferchault.github.io/APDFT/
GNU General Public License v3.0
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Are atomic energies from PBE reasonable? #295

Closed michasahre closed 3 years ago

michasahre commented 3 years ago

energies are with hundreds of mHa to results from Guido