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x86_64 Mac Build

Status: Open.

#27 In grimme-lab/g-xtb;

· TyBalduf opened on Apr 27, 2026

License LGPL or GPL

Status: Open.

#26 In grimme-lab/g-xtb;

· TyBalduf opened on Apr 27, 2026

Errors with OMP_NUM_THREADS=<ncores>,1 on Windows version.

Status: Open.

#23 In grimme-lab/g-xtb;

· npe1011 opened on Apr 24, 2026

Gradient error for specific XYZ structures

Status: Open.

#21 In grimme-lab/g-xtb;

· maburs opened on Apr 22, 2026

Matrices?

Status: Open.

#17 In grimme-lab/g-xtb;

· beomseok-kang opened on Nov 19, 2025

Implicit Solvent

Status: Open.

#16 In grimme-lab/g-xtb;

· RyBilly0604 opened on Oct 22, 2025

Error in geometry optimization

Status: Open.

#13 In grimme-lab/g-xtb;

· ivan-pikulin opened on Sep 16, 2025