3.3.13. `horton/gbasis/iter_gb.h` – Iterators over Gaussian basis functions¶

class

Public Functions

IterGB1::IterGB1(GBasis *gbasis)¶

int IterGB1::inc_shell()¶

void IterGB1::update_shell()¶

int IterGB1::inc_prim()¶

void IterGB1::update_prim()¶

void IterGB1::store(const double *work, double *output, long dim)¶

Public Members

long IterGB1::shell_type0¶

double IterGB1::con_coeff¶

double IterGB1::alpha0¶

const double *IterGB1::r0¶

const double *IterGB1::scales0¶

long IterGB1::ibasis0¶

long IterGB1::ishell0¶

long IterGB1::nprim0¶

long IterGB1::iprim0¶

long IterGB1::oprim0¶

Private Members

const GBasis *IterGB1::gbasis¶

const long *IterGB1::basis_offsets¶

class

Public Functions

IterGB2::IterGB2(GBasis *gbasis)¶

int IterGB2::inc_shell()¶

void IterGB2::update_shell()¶

int IterGB2::inc_prim()¶

void IterGB2::update_prim()¶

void IterGB2::store(const double *work, double *output)¶

double IterGB2::dot(const double *work, const double *dm)¶

Public Members

long IterGB2::shell_type0¶

long IterGB2::shell_type1¶

double IterGB2::con_coeff¶

double IterGB2::alpha0¶

double IterGB2::alpha1¶

const double *IterGB2::r0¶

const double *IterGB2::r1¶

const double *IterGB2::scales0¶

const double *IterGB2::scales1¶

long IterGB2::ibasis0¶

long IterGB2::ibasis1¶

long IterGB2::ishell0¶

long IterGB2::ishell1¶

long IterGB2::nprim0¶

long IterGB2::nprim1¶

long IterGB2::iprim0¶

long IterGB2::iprim1¶

long IterGB2::oprim0¶

long IterGB2::oprim1¶

Private Members

const GBasis *IterGB2::gbasis¶

const long *IterGB2::basis_offsets¶

class

Public Functions

IterGB4::IterGB4(GBasis *gbasis)¶

int IterGB4::inc_shell()¶

void IterGB4::update_shell()¶

int IterGB4::inc_prim()¶

void IterGB4::update_prim()¶

void IterGB4::store(const double *work, double *output)¶

Public Members

long IterGB4::shell_type0¶

long IterGB4::shell_type1¶

long IterGB4::shell_type2¶

long IterGB4::shell_type3¶

double IterGB4::con_coeff¶

double IterGB4::alpha0¶

double IterGB4::alpha1¶

double IterGB4::alpha2¶

double IterGB4::alpha3¶

const double *IterGB4::r0¶

const double *IterGB4::r1¶

const double *IterGB4::r2¶

const double *IterGB4::r3¶

const double *IterGB4::scales0¶

const double *IterGB4::scales1¶

const double *IterGB4::scales2¶

const double *IterGB4::scales3¶

long IterGB4::ibasis0¶

long IterGB4::ibasis1¶

long IterGB4::ibasis2¶

long IterGB4::ibasis3¶

long IterGB4::ishell0¶

long IterGB4::ishell1¶

long IterGB4::ishell2¶

long IterGB4::ishell3¶

long IterGB4::ishell3_max¶

long IterGB4::nprim0¶

long IterGB4::nprim1¶

long IterGB4::nprim2¶

long IterGB4::nprim3¶

long IterGB4::iprim0¶

long IterGB4::iprim1¶

long IterGB4::iprim2¶

long IterGB4::iprim3¶

long IterGB4::oprim0¶

long IterGB4::oprim1¶

long IterGB4::oprim2¶

long IterGB4::oprim3¶

Private Members

const GBasis *IterGB4::gbasis¶

const long *IterGB4::basis_offsets¶