Class GB2DMGridHartreeFn¶
- Defined in File fns.h
Inheritance Relationships¶
Base Type¶
public GB2DMGridFn(Class GB2DMGridFn)
Class Documentation¶
-
class
GB2DMGridHartreeFn: public GB2DMGridFn¶ Calculator for Hartree potential on a set of grid points.
This requires a double loop over all basis functions because the contributions from the products of basis functions cannot completely be factorized.
Content of work_basis (at one grid point): [0] The Hartree potential due to the product of the two basis functions.
Public Functions
-
GB2DMGridHartreeFn(long max_shell_type)¶
-
~GB2DMGridHartreeFn()¶
-
virtual void
add(double coeff, double alpha0, double alpha1, const double *scales0, const double *scales1)¶ Add contributions to work array for current grid point and given pair of primitive shells.
(See base class for details.)
-