libgrpp::libgrpp_spin_orbit_integrals_gradient Interface Reference

Public Member Functions
subroutine	libgrpp_spin_orbit_integrals_gradient (origin_a, l_a, num_primitives_a, coeffs_a, alpha_a, origin_b, l_b, num_primitives_b, coeffs_b, alpha_b, rpp_origin, rpp_ang_momentum, rpp_num_primitives, rpp_powers, rpp_coeffs, rpp_alpha, point_3d, grad_sox_x, grad_sox_y, grad_sox_z, grad_soy_x, grad_soy_y, grad_soy_z, grad_soz_x, grad_soz_y, grad_soz_z)

Detailed Description

Definition at line 188 of file libgrpp.F.

Constructor & Destructor Documentation

libgrpp_spin_orbit_integrals_gradient()

subroutine libgrpp::libgrpp_spin_orbit_integrals_gradient::libgrpp_spin_orbit_integrals_gradient	(	real(8), dimension(*), intent(in)	origin_a,
		integer(4), intent(in)	l_a,
		integer(4), intent(in)	num_primitives_a,
		real(8), dimension(*), intent(in)	coeffs_a,
		real(8), dimension(*), intent(in)	alpha_a,
		real(8), dimension(*), intent(in)	origin_b,
		integer(4), intent(in)	l_b,
		integer(4), intent(in)	num_primitives_b,
		real(8), dimension(*), intent(in)	coeffs_b,
		real(8), dimension(*), intent(in)	alpha_b,
		real(8), dimension(*), intent(in)	rpp_origin,
		integer(4), intent(in)	rpp_ang_momentum,
		integer(4), dimension(*), intent(in)	rpp_num_primitives,
		integer(4), dimension(*), intent(in)	rpp_powers,
		real(8), dimension(*), intent(in)	rpp_coeffs,
		real(8), dimension(*), intent(in)	rpp_alpha,
		real(8), dimension(*), intent(in)	point_3d,
		real(8), dimension(*), intent(out)	grad_sox_x,
		real(8), dimension(*), intent(out)	grad_sox_y,
		real(8), dimension(*), intent(out)	grad_sox_z,
		real(8), dimension(*), intent(out)	grad_soy_x,
		real(8), dimension(*), intent(out)	grad_soy_y,
		real(8), dimension(*), intent(out)	grad_soy_z,
		real(8), dimension(*), intent(out)	grad_soz_x,
		real(8), dimension(*), intent(out)	grad_soz_y,
		real(8), dimension(*), intent(out)	grad_soz_z
	)

Definition at line 188 of file libgrpp.F.

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

• grpp/libgrpp.F