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WeakEquationSchrodinger.h
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Sat, Sep 7, 04:54
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text/x-c
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Mon, Sep 9, 04:54 (2 d)
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rLAMMPS lammps
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
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