molara.Structure

Init file for Structure package.

Modules

molara.Structure.atom

Contains the Atom class and a dictionary of elements.

molara.Structure.basisset

Module for the Basisset class.

molara.Structure.crystal

Contains the Crystal class, which is a subclass of Structure.

molara.Structure.crystals

A Crystals Class to be able to work with several crystals.

molara.Structure.drawer

Contains the Drawer class.

molara.Structure.molecule

Contains the Molecule class.

molara.Structure.molecules

A Molecules Class to be able to work with several molecules.

molara.Structure.mos

Module for the Basisset class.

molara.Structure.structure

A module for the Structure class.

molara.Structure.structures

A Structures Class to be able to work with several structures.