TREXIO

Write a TREXIO file to disk. [Edit on GitHub]

Keywords

• CARTESIAN

• FILENAME

Keyword descriptions

CARTESIAN: logical = F

Lone keyword: T

Store the MOs in the Cartesian basis instead of the default spherical basis. [Edit on GitHub]

FILENAME: string = TREXIO

Usage: FILENAME {name}

Body of Filename for the trexio file. [Edit on GitHub]