orthogonal_transform_sym Subroutine

public subroutine orthogonal_transform_sym(n, m, a, u, ldu, b)

Uses

  • proc~~orthogonal_transform_sym~~UsesGraph proc~orthogonal_transform_sym orthogonal_transform_sym module~messages messages proc~orthogonal_transform_sym->module~messages 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 module~precision precision module~messages->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

@brief Compute orthogonal transformation of a symmetric marix A in packed format: B = U^T * A * U @param[in] a Matrix to transform @param[in] u Orthogonal matrix U(ldu,m) @param[in] n dimension of matrix A @param[in] m dimension of matrix B @param[in] ldu leading dimension of matrix U @param[out] b Result @param[inout] wrk Scratch space @author Vladimir Mironov

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: n
integer, intent(in) :: m
real(kind=8), intent(in) :: a(*)
real(kind=8), intent(in) :: u(n,*)
integer, intent(in) :: ldu
real(kind=8), intent(out) :: b(*)

Calls

proc~~orthogonal_transform_sym~~CallsGraph proc~orthogonal_transform_sym orthogonal_transform_sym interface~show_message show_message proc~orthogonal_transform_sym->interface~show_message proc~oqp_dgemm_i64 oqp_dgemm_i64 proc~orthogonal_transform_sym->proc~oqp_dgemm_i64 proc~oqp_dsymm_i64 oqp_dsymm_i64 proc~orthogonal_transform_sym->proc~oqp_dsymm_i64 proc~oqp_dtpttr_i64 oqp_dtpttr_i64 proc~orthogonal_transform_sym->proc~oqp_dtpttr_i64 proc~oqp_dtrttp_i64 oqp_dtrttp_i64 proc~orthogonal_transform_sym->proc~oqp_dtrttp_i64 proc~oqp_dgemm_i64->interface~show_message dgemm dgemm proc~oqp_dgemm_i64->dgemm proc~oqp_dsymm_i64->interface~show_message dsymm dsymm proc~oqp_dsymm_i64->dsymm proc~oqp_dtpttr_i64->interface~show_message dtpttr dtpttr proc~oqp_dtpttr_i64->dtpttr proc~oqp_dtrttp_i64->interface~show_message dtrttp dtrttp proc~oqp_dtrttp_i64->dtrttp

Called by

proc~~orthogonal_transform_sym~~CalledByGraph proc~orthogonal_transform_sym orthogonal_transform_sym proc~eijden eijden proc~eijden->proc~orthogonal_transform_sym proc~form_rohf_fock form_rohf_fock proc~form_rohf_fock->proc~orthogonal_transform_sym proc~huckel_guess huckel_guess proc~huckel_guess->proc~orthogonal_transform_sym proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->proc~orthogonal_transform_sym proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->proc~orthogonal_transform_sym proc~guess_huckel guess_huckel proc~guess_huckel->proc~huckel_guess proc~hf_gradient hf_gradient proc~hf_gradient->proc~eijden proc~scf_driver scf_driver proc~scf_driver->proc~form_rohf_fock proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->proc~eijden proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->proc~tdhf_mrsf_energy proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->proc~tdhf_sf_energy proc~guess_huckel_c guess_huckel_C proc~guess_huckel_c->proc~guess_huckel proc~hf_energy hf_energy proc~hf_energy->proc~scf_driver proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->proc~tdhf_1e_grad proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->proc~tdhf_gradient