printing Module


Uses

  • module~~printing~~UsesGraph module~printing printing module~precision precision module~printing->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Used by

  • module~~printing~~UsedByGraph module~printing printing proc~guess_hcore guess_hcore proc~guess_hcore->module~printing proc~guess_huckel guess_huckel proc~guess_huckel->module~printing proc~guess_json guess_json proc~guess_json->module~printing proc~hf_energy hf_energy proc~hf_energy->module~printing proc~hf_gradient hf_gradient proc~hf_gradient->module~printing proc~int1e int1e proc~int1e->module~printing proc~multipole_integrals multipole_integrals proc~multipole_integrals->module~printing proc~omp_hst omp_hst proc~omp_hst->module~printing proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->module~printing proc~scf_driver scf_driver proc~scf_driver->module~printing proc~tdhf_energy tdhf_energy proc~tdhf_energy->module~printing proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->module~printing proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->module~printing proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->module~printing

Variables

Type Visibility Attributes Name Initial
character(len=*), public, parameter :: module_name = "printing"

Subroutines

public subroutine print_module_info(module_title, module_info)

@brief Print MODULE information @detail Printout the information of each MODULES of OQP

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: module_title
character(len=*), intent(in) :: module_info

public subroutine print_sym_labeled(d, n, basis)

@brief Print symmetric packed matrix d of dimension n @detail The rows will be labeled with basis function tags

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: d(*)
integer, intent(in) :: n
type(basis_set), intent(in) :: basis

public subroutine print_mo_range(basis, infos, mostart, moend)

@brief Printing out MOs

Arguments

Type IntentOptional Attributes Name
type(basis_set), intent(in) :: basis
type(information), intent(inout) :: infos
integer, intent(in) :: mostart
integer, intent(in) :: moend

public subroutine print_eigvec_vals_labeled(basis, infos, mostart, moend)

@brief print eigenvector/values, with MO symmetry labels

Arguments

Type IntentOptional Attributes Name
type(basis_set), intent(in) :: basis
type(information), intent(inout) :: infos
integer, intent(in) :: mostart
integer, intent(in) :: moend

public subroutine print_square(V, m, n, ndim, tag, maxcolumns)

@brief Print out a square matrix @param[in] v rectanbular matrix @param[in] m number of columns in V @param[in] n number of rows in V @param[in] ndim leading dimension of V @param[in] tag optional, will be printed at the beginning of each line @param[in] maxcolumns optional, number of columns to wrap printing

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: V(NDIM,M)
integer, intent(in) :: m
integer, intent(in) :: n
integer, intent(in) :: ndim
character(len=*), intent(in), optional :: tag
integer, intent(in), optional :: maxcolumns

public subroutine print_sympack(d, n)

@brief Print out a symmetric matrix in packed format @param[in] d symmetric matrix in packed format @param[in] n matric dimension

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: d(*)
integer, intent(in) :: n

public subroutine print_sym(d, n, ld)

@brief Print symmetric matrix D in square format @param[in] d matrix to print, only lower triangle is referenced @param[in] n rank of matrix D @param[in] ld leading dimension of matrix D

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: d(ld,*)
integer, intent(in) :: n
integer, intent(in) :: ld

public subroutine print_ev_sol(v, e, m, n, ldv)

@brief Print the solution of the eigenvalue problem @param[in] v matrix of eigenvectors, v(ldv,m) @param[in] e array of eigenvectors, e(m) @param[in] m dimension of column space @param[in] n dimension of row space @param[in] ldv leading dimension of V

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: v(ldv,m)
real(kind=dp), intent(in) :: e(m)
integer, intent(in) :: m
integer, intent(in) :: n
integer, intent(in) :: ldv