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AQuaref not Ref-ing

Status: Open.

#92 In qrefine/qrefine;

· stav-ros opened on Sep 6, 2024

numpy 2.0 compatibility

Status: Open.

#91 In qrefine/qrefine;

· hokru opened on Aug 6, 2024

ASE - openmopac

Status: Open.

#88 In qrefine/qrefine;

· hokru opened on Jun 5, 2024

interaction_pair calculations on Apple Silicon

bug

low priority

Status: Open.

#72 In qrefine/qrefine;

· hokru opened on Nov 22, 2023

qrefine conda feedstock

enhancement

Status: Open.

#71 In qrefine/qrefine;

· hokru opened on Nov 16, 2023

simplify use of external QM programs

enhancement

low priority

Status: Open.

#69 In qrefine/qrefine;

· hokru opened on Nov 14, 2023

Open-shell clustering

enhancement

Status: Open.

#68 In qrefine/qrefine;

· hokru opened on Aug 9, 2023

Allow more flexible TeraChem input

low priority

Status: Open.

#58 In qrefine/qrefine;

· hokru opened on Mar 30, 2020