vibeqc.read_cif

vibeqc.read_cif(path, *, symmetrise=False, symprec=0.0001, to_primitive=False)

Parse a CIF file into a Crystal.

The returned crystal stores lattice vectors in bohr as columns and fractional coordinates as one atom per column. When symmetrise is true, the parsed crystal is converted to a 3D PeriodicSystem, passed through vibeqc.symmetrise(), and returned as a SymmetriseResult.

Parameters:

• path (str | Path)

• symmetrise (bool)

• symprec (float)

• to_primitive (bool)

Return type:

Crystal | SymmetriseResult