geom2geom

Tool for converting geometries between different files. Currently supports XV, xyz, fdf, ANI, and mkl. Repeat unitcell from XV and fdf. (fdf support limited to Ang, cartesian coord)

usage:

geom2geom [-h] [-x A1] [-y A2] [-z A3] GIN GOUT

positional arguments:

GIN Input geometry file GOUT Output geometry file

optional arguments:

-h, --help

show this help message and exit

-x A1, --A1 A1

Repeat unitcell along lattice vector A1

-y A2, --A2 A2

Repeat unitcell along lattice vector A2

-z A3, --A3 A3

Repeat unitcell along lattice vector A3