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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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Analyse alchemical energy for vacR #252

Closed michasahre closed 3 years ago

michasahre commented 4 years ago

plot alchpots splitted by element across different molecules