3.4.5. horton/gbasis/calc.h – Base class for any integral/evaluation of Gaussian functions¶

class GBCalculator¶

Public Functions

GBCalculator(long max_shell_type)¶

virtual ~GBCalculator()¶

const long get_nwork() const¶

const long get_max_shell_type() const¶

const long get_max_nbasis() const¶

const double *get_work() const¶

Protected Functions

void swap_work()¶

Protected Attributes

long nwork¶

long max_shell_type¶

long max_nbasis¶

double *work_pure¶

double *work_cart¶