Class IterGB1

• Defined in File iter_gb.h

Class Documentation

class IterGB1

A 1 basis function iterator. Not used very much except to define basic structure.

Public Functions

IterGB1(GBasis *gbasis)

IterGB1(const IterGB1 &other)

int inc_shell()

Increments the shell index.

void update_shell()

int inc_prim()

void update_prim()

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

Public Members

long shell_type0

double con_coeff

double alpha0

const double *r0

const double *scales0

The current center.

long ibasis0

Normalization constants.

long ishell0

Basis function counters (for output storage)

long nprim0

Shell counters.

long iprim0

long oprim0