lapack_wrap Module


Uses

  • module~~lapack_wrap~~UsesGraph module~lapack_wrap lapack_wrap module~mathlib_types mathlib_types module~lapack_wrap->module~mathlib_types module~messages messages module~lapack_wrap->module~messages module~precision precision module~lapack_wrap->module~precision 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 iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Used by

  • module~~lapack_wrap~~UsedByGraph module~lapack_wrap lapack_wrap module~oqp_linalg oqp_linalg module~oqp_linalg->module~lapack_wrap module~eigen eigen module~eigen->module~oqp_linalg module~guess guess module~guess->module~oqp_linalg module~huckel huckel module~huckel->module~oqp_linalg module~mathlib mathlib module~mathlib->module~oqp_linalg module~mod_dft_gridint mod_dft_gridint module~mod_dft_gridint->module~oqp_linalg module~mod_dft_gridint_energy mod_dft_gridint_energy module~mod_dft_gridint_energy->module~oqp_linalg module~mod_dft_gridint_energy->module~mod_dft_gridint module~mod_dft_gridint_fxc mod_dft_gridint_fxc module~mod_dft_gridint_fxc->module~oqp_linalg module~mod_dft_gridint_fxc->module~mod_dft_gridint module~mod_dft_gridint_gxc mod_dft_gridint_gxc module~mod_dft_gridint_gxc->module~oqp_linalg module~mod_dft_gridint_gxc->module~mod_dft_gridint module~mod_dft_gridint_gxc->module~mod_dft_gridint_fxc module~resp_mod resp_mod module~resp_mod->module~oqp_linalg module~tdhf_lib tdhf_lib module~tdhf_lib->module~oqp_linalg module~tdhf_mrsf_lib tdhf_mrsf_lib module~tdhf_mrsf_lib->module~oqp_linalg module~tdhf_sf_lib tdhf_sf_lib module~tdhf_sf_lib->module~oqp_linalg module~tdhf_z_vector_mod tdhf_z_vector_mod module~tdhf_z_vector_mod->module~oqp_linalg module~tdhf_z_vector_mod->module~tdhf_lib proc~mo_to_ao mo_to_ao proc~mo_to_ao->module~oqp_linalg proc~mo_to_ao->module~mathlib proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->module~oqp_linalg proc~tdhf_mrsf_energy->module~mathlib proc~tdhf_mrsf_energy->module~tdhf_lib proc~tdhf_mrsf_energy->module~tdhf_mrsf_lib proc~tdhf_mrsf_energy->module~tdhf_sf_lib proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->module~oqp_linalg proc~tdhf_sf_energy->module~mathlib proc~tdhf_sf_energy->module~tdhf_lib proc~tdhf_sf_energy->module~tdhf_sf_lib module~grd1 grd1 module~grd1->module~mathlib module~mod_dft_gridint_grad mod_dft_gridint_grad module~mod_dft_gridint_grad->module~mod_dft_gridint module~mod_dft_gridint_tdxc_grad mod_dft_gridint_tdxc_grad module~mod_dft_gridint_tdxc_grad->module~mod_dft_gridint proc~build_pfon_density build_pfon_density proc~build_pfon_density->module~mathlib proc~corresponding_orbital_projection corresponding_orbital_projection proc~corresponding_orbital_projection->module~eigen proc~derexc_blk derexc_blk proc~derexc_blk->module~mod_dft_gridint proc~dftder dftder proc~dftder->module~mathlib proc~dftder->module~mod_dft_gridint_grad proc~dftexcor dftexcor proc~dftexcor->module~mod_dft_gridint_energy proc~dmatd_blk dmatd_blk proc~dmatd_blk->module~mod_dft_gridint proc~eijden eijden proc~eijden->module~mathlib proc~electric_moments electric_moments proc~electric_moments->module~mathlib proc~form_rohf_fock form_rohf_fock proc~form_rohf_fock->module~mathlib proc~get_ab_initio_density get_ab_initio_density proc~get_ab_initio_density->module~mathlib proc~get_ab_initio_orbital get_ab_initio_orbital proc~get_ab_initio_orbital->module~eigen proc~get_ab_initio_orbital->module~mathlib proc~get_spin_square get_spin_square proc~get_spin_square->module~mathlib proc~get_states_overlap get_states_overlap proc~get_states_overlap->module~tdhf_mrsf_lib proc~get_td_transition_dipole get_td_transition_dipole proc~get_td_transition_dipole->module~mathlib proc~get_td_transition_dipole->module~tdhf_lib proc~get_transition_density get_transition_density proc~get_transition_density->module~tdhf_lib proc~get_transition_dipole get_transition_dipole proc~get_transition_dipole->module~mathlib proc~guess_hcore guess_hcore proc~guess_hcore->module~guess proc~guess_hcore->module~mathlib proc~guess_huckel guess_huckel proc~guess_huckel->module~guess proc~guess_huckel->module~huckel proc~guess_huckel->module~mathlib proc~guess_json guess_json proc~guess_json->module~guess proc~huckel_guess huckel_guess proc~huckel_guess->module~guess proc~huckel_guess->module~mathlib proc~int2_td_data_t_parallel_stop int2_td_data_t%int2_td_data_t_parallel_stop proc~int2_td_data_t_parallel_stop->module~mathlib proc~matrix_invsqrt matrix_invsqrt proc~matrix_invsqrt->module~eigen proc~oqp_resp_charges oqp_resp_charges proc~oqp_resp_charges->module~mathlib proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->module~mathlib proc~oqp_tdhf_z_vector->module~mod_dft_gridint_fxc proc~oqp_tdhf_z_vector->module~mod_dft_gridint_gxc proc~oqp_tdhf_z_vector->module~tdhf_lib proc~oqp_tdhf_z_vector->module~tdhf_sf_lib proc~rpaeig rpaeig proc~rpaeig->module~eigen proc~run_population_analysis run_population_analysis proc~run_population_analysis->module~mathlib proc~scf_driver scf_driver proc~scf_driver->module~guess proc~scf_driver->module~mathlib proc~sfdmat sfdmat proc~sfdmat->module~mathlib proc~sfdmat->module~tdhf_lib proc~symmetrize_matrices symmetrize_matrices proc~symmetrize_matrices->module~mathlib proc~tddft_fxc tddft_fxc proc~tddft_fxc->module~mathlib proc~tddft_fxc->module~mod_dft_gridint proc~tddft_gxc tddft_gxc proc~tddft_gxc->module~mathlib proc~tddft_gxc->module~mod_dft_gridint proc~tddft_xc_gradient tddft_xc_gradient proc~tddft_xc_gradient->module~mod_dft_gridint proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->module~mathlib proc~tdhf_1e_grad->module~grd1 proc~tdhf_energy tdhf_energy proc~tdhf_energy->module~mathlib proc~tdhf_energy->module~mod_dft_gridint_fxc proc~tdhf_energy->module~tdhf_lib proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->module~mathlib proc~tdhf_gradient->module~tdhf_lib proc~tdhf_gradient->module~grd1 proc~tdhf_gradient->module~mod_dft_gridint_tdxc_grad proc~tdhf_unrelaxed_density tdhf_unrelaxed_density proc~tdhf_unrelaxed_density->module~mathlib proc~utddft_fxc utddft_fxc proc~utddft_fxc->module~mathlib proc~utddft_fxc->module~mod_dft_gridint proc~utddft_xc_gradient utddft_xc_gradient proc~utddft_xc_gradient->module~mod_dft_gridint proc~hf_gradient hf_gradient proc~hf_gradient->module~grd1

Subroutines

public subroutine oqp_dgeqrf_i64(m, n, a, lda, tau, work, lwork, info)

Arguments

Type IntentOptional Attributes Name
integer :: m
integer :: n
real(kind=dp) :: a(lda,*)
integer :: lda
real(kind=dp) :: tau(*)
real(kind=dp) :: work(*)
integer :: lwork
integer :: info

public subroutine oqp_dgesv_i64(n, nrhs, a, lda, ipiv, b, ldb, info)

Arguments

Type IntentOptional Attributes Name
integer :: n
integer :: nrhs
real(kind=dp) :: a(lda,*)
integer :: lda
integer :: ipiv(*)
real(kind=dp) :: b(ldb,*)
integer :: ldb
integer :: info

public subroutine oqp_dsysv_i64(uplo, n, nrhs, a, lda, ipiv, b, ldb, work, lwork, info)

Arguments

Type IntentOptional Attributes Name
character(len=*) :: uplo
integer :: n
integer :: nrhs
real(kind=dp) :: a(*)
integer :: lda
integer :: ipiv(*)
real(kind=dp) :: b(*)
integer :: ldb
real(kind=dp) :: work(*)
integer :: lwork
integer :: info

public subroutine oqp_dgglse_i64(m, n, p, a, lda, b, ldb, c, d, x, work, lwork, info)

Arguments

Type IntentOptional Attributes Name
integer :: m
integer :: n
integer :: p
real(kind=dp) :: a(lda,*)
integer :: lda
real(kind=dp) :: b(ldb,*)
integer :: ldb
real(kind=dp) :: c(*)
real(kind=dp) :: d(*)
real(kind=dp) :: x(*)
real(kind=dp) :: work(*)
integer :: lwork
integer :: info

public subroutine oqp_dorgqr_i64(m, n, k, a, lda, tau, work, lwork, info)

Arguments

Type IntentOptional Attributes Name
integer :: m
integer :: n
integer :: k
real(kind=dp) :: a(lda,*)
integer :: lda
real(kind=dp) :: tau(*)
real(kind=dp) :: work(*)
integer :: lwork
integer :: info

public subroutine oqp_dormqr_i64(side, trans, m, n, k, a, lda, tau, c, ldc, work, lwork, info)

Arguments

Type IntentOptional Attributes Name
character(len=*) :: side
character(len=*) :: trans
integer :: m
integer :: n
integer :: k
real(kind=dp) :: a(lda,*)
integer :: lda
real(kind=dp) :: tau(*)
real(kind=dp) :: c(ldc,*)
integer :: ldc
real(kind=dp) :: work(*)
integer :: lwork
integer :: info

public subroutine oqp_dtpttr_i64(uplo, n, ap, a, lda, info)

Arguments

Type IntentOptional Attributes Name
character(len=*) :: uplo
integer :: n
real(kind=dp) :: ap(*)
real(kind=dp) :: a(lda,*)
integer :: lda
integer :: info

public subroutine oqp_dtrttp_i64(uplo, n, a, lda, ap, info)

Arguments

Type IntentOptional Attributes Name
character(len=*) :: uplo
integer :: n
real(kind=dp) :: a(lda,*)
integer :: lda
real(kind=dp) :: ap(*)
integer :: info

public subroutine oqp_dgetri_i64(n, a, lda, ipiv, work, lwork, info)

Compute the inverse of a real matrix using LAPACK routine dgetri.

Arguments

Type IntentOptional Attributes Name
integer :: n
real(kind=dp) :: a(lda,*)
integer :: lda
integer :: ipiv(:)
real(kind=dp) :: work(lwork)
integer :: lwork
integer :: info