Provides all information about a basis set. More...

Data Fields
integer	basis_type = GTO_BASIS

integer, dimension(0:lmat)	nbas = 0

integer, dimension(0:lmat)	nprim = 0

real(kind=dp), dimension(:, :), pointer	am => NULL()

real(kind=dp), dimension(:, :, :), pointer	cm => NULL()

real(kind=dp), dimension(:, :), pointer	as => NULL()

integer, dimension(:, :), pointer	ns => NULL()

real(kind=dp), dimension(:, :, :), pointer	bf => NULL()

real(kind=dp), dimension(:, :, :), pointer	dbf => NULL()

real(kind=dp), dimension(:, :, :), pointer	ddbf => NULL()

real(kind=dp)	eps_eig = 0.0_dp

type(grid_atom_type), pointer	grid => NULL()

logical	geometrical = .FALSE.

real(kind=dp)	aval = 0.0_dp

real(kind=dp)	cval = 0.0_dp

integer, dimension(0:lmat)	start = 0

Detailed Description

Provides all information about a basis set.

Definition at line 78 of file atom_types.F.

Field Documentation

◆ basis_type

integer atom_types::atom_basis_type::basis_type = GTO_BASIS

Definition at line 79 of file atom_types.F.

◆ nbas

integer, dimension(0:lmat) atom_types::atom_basis_type::nbas = 0

Definition at line 80 of file atom_types.F.

◆ nprim

integer, dimension(0:lmat) atom_types::atom_basis_type::nprim = 0

Definition at line 81 of file atom_types.F.

◆ am

real(kind=dp), dimension(:, :), pointer atom_types::atom_basis_type::am => NULL()

Definition at line 82 of file atom_types.F.

◆ cm

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_basis_type::cm => NULL()

Definition at line 83 of file atom_types.F.

◆ as

real(kind=dp), dimension(:, :), pointer atom_types::atom_basis_type::as => NULL()

Definition at line 84 of file atom_types.F.

◆ ns

integer, dimension(:, :), pointer atom_types::atom_basis_type::ns => NULL()

Definition at line 85 of file atom_types.F.

◆ bf

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_basis_type::bf => NULL()

Definition at line 86 of file atom_types.F.

◆ dbf

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_basis_type::dbf => NULL()

Definition at line 87 of file atom_types.F.

◆ ddbf

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_basis_type::ddbf => NULL()

Definition at line 88 of file atom_types.F.

◆ eps_eig

real(kind=dp) atom_types::atom_basis_type::eps_eig = 0.0_dp

Definition at line 89 of file atom_types.F.

◆ grid

type(grid_atom_type), pointer atom_types::atom_basis_type::grid => NULL()

Definition at line 90 of file atom_types.F.

◆ geometrical

logical atom_types::atom_basis_type::geometrical = .FALSE.

Definition at line 91 of file atom_types.F.

◆ aval

real(kind=dp) atom_types::atom_basis_type::aval = 0.0_dp

Definition at line 92 of file atom_types.F.

◆ cval

real(kind=dp) atom_types::atom_basis_type::cval = 0.0_dp