libgint_wrapper::libgint_set_density Interface Reference

Public Member Functions
subroutine	libgint_set_density_a (full_density_alpha)
	communicates the density to libGint, no spin case
subroutine	libgint_set_density_ab (full_density_alpha, full_density_beta)
	communicates the density to libGint, spin case

Detailed Description

Definition at line 53 of file libgint_wrapper.F.

Member Function/Subroutine Documentation

libgint_set_density_a()

subroutine libgint_wrapper::libgint_set_density::libgint_set_density_a

(

real(dp), dimension(:, :), pointer

full_density_alpha

)

communicates the density to libGint, no spin case

Parameters

[in]

full_density_alpha

full density matrix array

Definition at line 207 of file libgint_wrapper.F.

libgint_set_density_ab()

subroutine libgint_wrapper::libgint_set_density::libgint_set_density_ab	(	real(dp), dimension(:, :), pointer	full_density_alpha,
		real(dp), dimension(:, :), pointer	full_density_beta
	)

communicates the density to libGint, spin case

Parameters

[in]	full_density_alpha	full density matrix array on the alpha channel
[in]	full_density_beta	full density matrix array on the beta channel

Definition at line 224 of file libgint_wrapper.F.

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

• libgint_wrapper.F