tdhf_unrelaxed_density Subroutine

public subroutine tdhf_unrelaxed_density(xmy, xpy, mo, t, nocc, tda)

Uses

  • proc~~tdhf_unrelaxed_density~~UsesGraph proc~tdhf_unrelaxed_density tdhf_unrelaxed_density module~mathlib mathlib proc~tdhf_unrelaxed_density->module~mathlib module~precision precision proc~tdhf_unrelaxed_density->module~precision module~mathlib->module~precision module~oqp_linalg oqp_linalg module~mathlib->module~oqp_linalg iso_fortran_env iso_fortran_env module~precision->iso_fortran_env module~blas_wrap blas_wrap module~oqp_linalg->module~blas_wrap module~lapack_wrap lapack_wrap module~oqp_linalg->module~lapack_wrap module~blas_wrap->module~precision module~mathlib_types mathlib_types module~blas_wrap->module~mathlib_types module~messages messages module~blas_wrap->module~messages module~lapack_wrap->module~precision module~lapack_wrap->module~mathlib_types module~lapack_wrap->module~messages module~messages->module~precision comm_IOFILE comm_IOFILE module~messages->comm_IOFILE comm_PAR comm_PAR module~messages->comm_PAR module~io_constants io_constants module~messages->module~io_constants

@brief Compute unrelaxed difference density matrix for R-TDDFT

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: xmy(*)
real(kind=dp), intent(in) :: xpy(*)
real(kind=dp), intent(in) :: mo(:,:)
real(kind=dp), intent(out) :: t(*)
integer, intent(in) :: nocc
logical, intent(in) :: tda

Calls

proc~~tdhf_unrelaxed_density~~CallsGraph proc~tdhf_unrelaxed_density tdhf_unrelaxed_density interface~pack_matrix pack_matrix proc~tdhf_unrelaxed_density->interface~pack_matrix proc~oqp_dgemm_i64 oqp_dgemm_i64 proc~tdhf_unrelaxed_density->proc~oqp_dgemm_i64 proc~orthogonal_transform orthogonal_transform proc~tdhf_unrelaxed_density->proc~orthogonal_transform proc~pack_f90 PACK_F90 interface~pack_matrix->proc~pack_f90 dgemm dgemm proc~oqp_dgemm_i64->dgemm interface~show_message show_message proc~oqp_dgemm_i64->interface~show_message proc~orthogonal_transform->proc~oqp_dgemm_i64 proc~orthogonal_transform->interface~show_message proc~pack_f90->interface~show_message proc~oqp_dtrttp_i64 oqp_dtrttp_i64 proc~pack_f90->proc~oqp_dtrttp_i64 proc~oqp_dtrttp_i64->interface~show_message dtrttp dtrttp proc~oqp_dtrttp_i64->dtrttp

Called by

proc~~tdhf_unrelaxed_density~~CalledByGraph proc~tdhf_unrelaxed_density tdhf_unrelaxed_density proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->proc~tdhf_unrelaxed_density proc~tdhf_z_vector_c tdhf_z_vector_C proc~tdhf_z_vector_c->proc~oqp_tdhf_z_vector