chargeresponsefit.h File Reference

#include <array>
#include <string>
#include <vector>
#include "aobasis.h"
#include "eigen.h"
#include "hirshfeldpartition.h"
#include "vxc_grid.h"

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Classes
class	votca::xtp::ChargeResponseFit
	Parametrization of a charge-response molecule (see ChargeResponse) from the static density response of a DFT ground state. More...
struct	votca::xtp::ChargeResponseFit::Result
struct	votca::xtp::ChargeResponseFit::FitOptions
struct	votca::xtp::ChargeResponseFit::Inversion

Namespaces
namespace	votca
	Provides a means for comparing floating point numbers.
namespace	votca::tools
namespace	votca::xtp
	Charge transport classes.

Macros
#define	VOTCA_XTP_CHARGERESPONSEFIT_H

Macro Definition Documentation

VOTCA_XTP_CHARGERESPONSEFIT_H

#define VOTCA_XTP_CHARGERESPONSEFIT_H

Definition at line 22 of file chargeresponsefit.h.