qs_grid_atom.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_grid_atom::atom_integration_grid_type
type	qs_grid_atom::grid_atom_type

Modules
module	qs_grid_atom

Functions/Subroutines
subroutine, public	qs_grid_atom::allocate_grid_atom (grid_atom)
	Initialize components of the grid_atom_type structure.
subroutine, public	qs_grid_atom::deallocate_grid_atom (grid_atom)
	Deallocate a Gaussian-type orbital (GTO) basis set data set.
subroutine, public	qs_grid_atom::create_grid_atom (grid_atom, nr, na, llmax, ll, quadrature)
	...
subroutine, public	qs_grid_atom::initialize_atomic_grid (int_grid, nr, na, rmax, quadrature, iunit)
	Initialize atomic grid.
subroutine, public	qs_grid_atom::deallocate_atom_int_grid (int_grid)
	...