2#ifndef MADNESS_MADCHEM_H
3#define MADNESS_MADCHEM_H
22#include<madness/chem/ParameterManager.hpp>
Operators for the molecular HF and DFT code.
solution protocol for SCF calculations
Declaration of utility class and functions for atom.
Declaration of core potential related class.
Defines functions that give information on this version of MADNESS.
General header file for using MADNESS.
optimize the geometrical structure of a molecule
Solves molecular MP2 equations.
Implementation of Krylov-subspace nonlinear equation solver.
implements point group operations
Declaration of molecule-related classes and functions.
