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oimeitei / quemb

QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.
Apache License 2.0
4 stars 6 forks source link

fix small syntax bugs #19

Closed lweisburn closed 3 months ago

lweisburn commented 3 months ago

fix merge error and SOSCF syntax