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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
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fix small syntax bugs
#19
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lweisburn
closed
4 months ago
lweisburn
commented
4 months ago
fix merge error and SOSCF syntax
fix merge error and SOSCF syntax