InputParameters Struct Reference

Collaboration diagram for InputParameters:

Public Member Functions
void	read (const char *filename)
void	read (const char *filename)
void	read (const char *filename)
template<typename Archive >
void	serialize (Archive &ar)
template<typename Archive >
void	serialize (Archive &ar)
template<typename Archive >
void	serialize (Archive &ar)

Public Attributes
double	cut
double	F
std::string	iState
int	k
double	L
double	Llarge
double	Lsmall
int	natom
double	ncycle
int	ndump
int	nio
int	nloadbal
int	nplot
int	nprint
double	omega
std::string	prefix
string	prefix
double	R [MAXNATOM][3]
double	safety
double	target_time
double	thresh
double	tScale
double	Z [MAXNATOM]

Static Public Attributes
static const int	MAXNATOM =99

Member Function Documentation

read() [1/3]

void InputParameters::read ( const char *  filename )

inline

References cut, F, madness::f, madness::filename, iState, k, L, Llarge, Lsmall, MADNESS_EXCEPTION, natom, ncycle, ndump, nio, nloadbal, nplot, nprint, omega, prefix, R, safety, target_time, thresh, tScale, and Z.

Referenced by doit().

read() [2/3]

void InputParameters::read ( const char *  filename )

inline

References cut, F, madness::f, madness::filename, k, L, Llarge, Lsmall, MADNESS_EXCEPTION, natom, ncycle, ndump, nio, nloadbal, nplot, nprint, omega, prefix, R, safety, target_time, thresh, tScale, and Z.

read() [3/3]

void InputParameters::read ( const char *  filename )

inline

References cut, F, madness::f, madness::filename, k, L, MADNESS_EXCEPTION, ncycle, ndump, nio, nloadbal, nprint, omega, prefix, R0, reduced_mass, safety, sqrtmu, target_time, thresh, tScale, and Z.

serialize() [1/3]

template<typename Archive >

void InputParameters::serialize ( Archive &  ar )

inline

References cut, iState, k, L, Llarge, Lsmall, MAXNATOM, natom, ncycle, ndump, nio, nloadbal, nplot, nprint, omega, prefix, R, safety, target_time, thresh, tScale, madness::archive::wrap(), and Z.

serialize() [2/3]

template<typename Archive >

void InputParameters::serialize ( Archive &  ar )

inline

References cut, k, L, Llarge, Lsmall, MAXNATOM, natom, ncycle, ndump, nio, nloadbal, nplot, nprint, omega, prefix, R, safety, target_time, thresh, tScale, madness::archive::wrap(), and Z.

serialize() [3/3]

template<typename Archive >

void InputParameters::serialize ( Archive &  ar )

inline

References cut, k, L, ncycle, ndump, nio, nloadbal, nprint, omega, prefix, safety, target_time, thresh, and tScale.

Member Data Documentation

cut

double InputParameters::cut

Referenced by converge(), converge(), converge2s(), doit(), dVdx(), dVdx(), dVdy(), dVdy(), dVdz(), dVdz(), guess(), guess1s(), guess2s(), propagate(), propagate(), read(), serialize(), V(), V(), and Ve().

F

double InputParameters::F

Referenced by laser(), and read().

iState

std::string InputParameters::iState

Referenced by doit(), read(), and serialize().

k

int InputParameters::k

Referenced by converge(), doit(), propagate(), propagate(), read(), and serialize().

L

double InputParameters::L

Referenced by doit(), propagate(), propagate(), read(), and serialize().

Llarge

double InputParameters::Llarge

Referenced by line_plot(), propagate(), read(), and serialize().

Lsmall

double InputParameters::Lsmall

Referenced by propagate(), read(), and serialize().

MAXNATOM

static const int InputParameters::MAXNATOM =99

static

Referenced by serialize().

natom

int InputParameters::natom

Referenced by dVdx(), dVdx(), dVdy(), dVdy(), dVdz(), dVdz(), guess(), guess1s(), guess2s(), read(), serialize(), V(), and V().

ncycle

double InputParameters::ncycle

Referenced by laser(), read(), and serialize().

ndump

int InputParameters::ndump

Referenced by propagate(), propagate(), read(), and serialize().

nio

int InputParameters::nio

Referenced by read(), serialize(), and wave_function_store().

nloadbal

int InputParameters::nloadbal

Referenced by propagate(), propagate(), read(), and serialize().

nplot

int InputParameters::nplot

Referenced by propagate(), read(), and serialize().

nprint

int InputParameters::nprint

Referenced by propagate(), propagate(), read(), and serialize().

omega

double InputParameters::omega

Referenced by laser(), read(), and serialize().

prefix [1/2]

std::string InputParameters::prefix

Referenced by madness::TDHF::analyze(), madness::MolecularEnergy::output_calc_info_schema(), read(), serialize(), test_read_restartaodata(), test_read_restartdata(), wave_function_filename(), wave_function_large_plot_filename(), and wave_function_small_plot_filename().

prefix [2/2]

string InputParameters::prefix

R

double InputParameters::R

Referenced by dVdx(), dVdx(), dVdy(), dVdy(), dVdz(), dVdz(), guess(), guess1s(), guess2s(), read(), serialize(), V(), and V().

safety

double InputParameters::safety

Referenced by doit(), read(), and serialize().

target_time

double InputParameters::target_time

Referenced by propagate(), propagate(), read(), and serialize().

thresh

double InputParameters::thresh

Referenced by chin_chen(), chin_chen(), converge(), converge(), converge2s(), doit(), propagate(), read(), serialize(), trotter(), trotter(), and trotter().

tScale

double InputParameters::tScale

Referenced by propagate(), propagate(), read(), and serialize().

Z

double InputParameters::Z

Referenced by dVdx(), dVdx(), dVdy(), dVdy(), dVdz(), dVdz(), guess(), guess1s(), guess2s(), read(), serialize(), V(), and V().

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The documentation for this struct was generated from the following files:

• tdse.cc
• tdse.confused.cc
• tdse4.cc