Contracted Gaussian type basis function. More...

Public Member Functions
procedure	compare (self, rhs)
	Compare with a second CGTO for equality.

Data Fields
integer	ang = -1
	Angular momentum of this basis function.

integer	nprim = 0
	Contraction length of this basis function.

real(wp), dimension(maxg)	alpha = 0.0_wp
	Exponent of the primitive Gaussian functions.

real(wp), dimension(maxg)	coeff = 0.0_wp
	Contraction coefficients of the primitive Gaussian functions, might contain normalization.

Detailed Description

Contracted Gaussian type basis function.

Member Function/Subroutine Documentation

procedure tblite_basis_type::cgto_type::compare	(	class(cgto_type), intent(in)	self,
		type(cgto_type), intent(in)	rhs )

Compare with a second CGTO for equality.

Parameters

[in]	self	First CGTO to compare
[in]	rhs	Second CGTO to compare

The documentation for this type was generated from the following file: