:orphan: :mod:`atsim.potentials._dlpoly_writeTABLE` ========================================== .. py:module:: atsim.potentials._dlpoly_writeTABLE .. autoapi-nested-parse:: Module for creating DL_POLY TABLE files Module Contents --------------- Functions ~~~~~~~~~ .. autoapisummary:: atsim.potentials._dlpoly_writeTABLE.writePotentials .. py:exception:: WritePotentialException Bases: :class:`Exception` Exception class that can be thrown by functions in this module .. function:: writePotentials(potentials, cutoff, gridPoints, out=sys.stdout) Function used to convert a collection of Potential objects into a DL_POLY TABLE file. @param potentials Iterable containing Potential objects @param cutoff Short-range potential cutoff @param gridPoints Number of grid points used to tabulate potential @param out Python stream object (supporting write()) to which output is sent