httk.atomistic.integrations.vasp.io.volumetric ============================================== .. py:module:: httk.atomistic.integrations.vasp.io.volumetric .. autoapi-nested-parse:: Writer for VASP/VESTA volumetric grids. Functions --------- .. autoapisummary:: httk.atomistic.integrations.vasp.io.volumetric.write_vasp_volumetric Module Contents --------------- .. py:function:: write_vasp_volumetric(destination, poscar_payload, grid, *, cols = 10) Write POSCAR content followed by a Fortran-order real-valued grid. :param destination: Filesystem path or open text stream for the output. :param poscar_payload: Neutral POSCAR payload supplying the structure header. :param grid: Three-dimensional real-valued grid to write in Fortran order. :param cols: Maximum number of values written on each grid line. :raises ValueError: If ``cols`` or ``grid`` cannot be represented in the format.