huckel Module


Uses

  • module~~huckel~~UsesGraph module~huckel huckel module~oqp_linalg oqp_linalg module~huckel->module~oqp_linalg module~precision precision module~huckel->module~precision module~blas_wrap blas_wrap module~oqp_linalg->module~blas_wrap module~lapack_wrap lapack_wrap module~oqp_linalg->module~lapack_wrap iso_fortran_env iso_fortran_env module~precision->iso_fortran_env 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

Used by

  • module~~huckel~~UsedByGraph module~huckel huckel proc~guess_huckel guess_huckel proc~guess_huckel->module~huckel

Subroutines

public subroutine huckel_guess(ovl, orbitals, infos, basis, huckel_basis)

Arguments

Type IntentOptional Attributes Name
real(kind=dp) :: ovl(*)
real(kind=dp) :: orbitals(*)
type(information), intent(in) :: infos
type(basis_set), intent(in) :: basis
type(basis_set), intent(in) :: huckel_basis