WeakEquationSchrodinger.h
6297a32d9b46lammps-icms

WeakEquationSchrodinger.h
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			#ifndef WEAK_EQUATION_SCHRODINGER_H
			#define WEAK_EQUATION_SCHRODINGER_H

			#include <set>
			#include <string>

			#include "WeakEquation.h"

			namespace ATC{

			/**
			* @class WeakEquationSchrodinger
			* @brief Schrodinger equation
			* -hbar^2 /2 1/m^* psi,xx + phi psi = E psi
			* (-c*B^T B + phi N^T N) psi = E N^T N psi
			*/

			class WeakEquationSchrodinger : public WeakEquation {

			public:

			// constructor
			WeakEquationSchrodinger();

			// destructor
			virtual ~WeakEquationSchrodinger();

			/** RHS stiffness matrix */
			virtual bool has_BB_tangent_coefficients(void) const {return true;}
			virtual void BB_tangent_coefficients(const FieldName field,
			const FIELD_MATS & fields,
			const Material * material,
			DENS_MAT &coefs) const;
			virtual bool has_NN_tangent_coefficients(void) const {return true;}
			virtual void NN_tangent_coefficients(const FieldName field,
			const FIELD_MATS & fields,
			const Material * material,
			DENS_MAT &coefs) const;

			/** necessary interfaces */
			virtual std::set<std::string> needs_material_functions(void) const
			{
			std::set<std::string> needs;
			needs.insert("inv_effective_mass");
			needs.insert("band_edge_potential");
			return needs;
			}

			};

			};
			#endif