qrunch.chemistry.ground_state_problem.builders

Module containing utilities to build a ground state problem.

Modules

active_space_ground_state_problem_modifier	Complete active space ground state problem modifier.
builders_protocols	Protocols for ground state problem builders.
custom_ground_state_problem	Module for creating custom ground state problems.
full_ground_state_problem_builders	Module containing builders for a full ground state problem.
hartree_fock_energy	Module designed to calculate the Hartree-Fock energy, provided molecular integrals.
problem_modifiers	Creator for building problem modifiers.
projective_embedding_ground_state_problem_builders	Classes for embedding systems of molecules in an environment consisting of the remaining molecule.
to_two_body_electron_repulsion_integral_modifier	Modifier that can change the problem to use regular integrals.
tools	Contains tools the builders use.