Objects

Environ exposes the following class instances to provide host programs with greater flexibility of calculation. For more information on each class, please reference the provided links.

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setup

The setup class (environ_setup) contains calculation flags, simulation cells, and the numerical solvers and cores.

main

The main class (environ_main) contains the physical quantities of Environ, as well as calculated potentials and energies.

calc

The calculator class (environ_calculator) contains the primary calculators to compute energies, potentials, and forces.

clean

The destructor class (environ_destructor) contains methods to destroy any objects created in the process of a calculation.