dipole.f90 File Reference

Provides evaluation of dipole moment integrals. More...

Data Types
interface	tblite_integral_dipole::get_dipole_integrals

Modules
module	tblite_integral_dipole
	Implementation of dipole moment integrals.

Functions/Subroutines
pure subroutine, public	tblite_integral_dipole::dipole_cgto (cgtoj, cgtoi, r2, vec, intcut, overlap, dpint)
pure subroutine, public	tblite_integral_dipole::dipole_cgto_diat (cgtoj, cgtoi, r2, vec, intcut, ksig, kpi, kdel, overlap, overlap_diat, dpint)
pure subroutine, public	tblite_integral_dipole::dipole_grad_cgto (cgtoj, cgtoi, r2, vec, intcut, overlap, dpint, doverlap, ddpint)

Variables
integer, parameter, public	tblite_integral_dipole::maxl = 6
integer, dimension(0:maxl), parameter, public	tblite_integral_dipole::msao = [1, 3, 5, 7, 9, 11, 13]
integer, dimension(0:maxl), parameter, public	tblite_integral_dipole::smap = [0, 1, 4, 9, 16, 25, 36]

Detailed Description

Provides evaluation of dipole moment integrals.