eigen Module


Uses

  • module~~eigen~~UsesGraph module~eigen eigen module~mathlib_types mathlib_types module~eigen->module~mathlib_types module~messages messages module~eigen->module~messages module~oqp_linalg oqp_linalg module~eigen->module~oqp_linalg module~precision precision module~eigen->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 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~mathlib_types module~blas_wrap->module~messages module~blas_wrap->module~precision module~lapack_wrap->module~mathlib_types module~lapack_wrap->module~messages module~lapack_wrap->module~precision

Used by

  • module~~eigen~~UsedByGraph module~eigen eigen proc~corresponding_orbital_projection corresponding_orbital_projection proc~corresponding_orbital_projection->module~eigen proc~get_ab_initio_orbital get_ab_initio_orbital proc~get_ab_initio_orbital->module~eigen proc~matrix_invsqrt matrix_invsqrt proc~matrix_invsqrt->module~eigen proc~rpaeig rpaeig proc~rpaeig->module~eigen

Subroutines

public subroutine diag_symm_packed(mode, ldvect, nvect, n, h, eig, vector, ierr)

@brief Find eigenvalues and eigenvectors of symmetric matrix in packed format @param[in] mode algorithm of diagonalization (not used now) @param[in] n matrix dimension @param[in] ldvect leading dimension of eigenvector matrix @param[in] nvect required number of eigenvectors @param[in,out] h matrix to be diagonalized @param[out] eig eigenvalues @param[out] vector eigenvectors @param[out] ierr status

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: mode
integer, intent(in) :: ldvect
integer, intent(in) :: nvect
integer, intent(in) :: n
real(kind=dp), intent(inout) :: h(*)
real(kind=dp), intent(out) :: eig(*)
real(kind=dp), intent(out) :: vector(*)
integer, intent(out), optional :: ierr

public subroutine diag_symm_full(mode, n, a, lda, eival, ierr)

@brief Find eigenvalues and eigenvectors of symmetric matrix in full format @param[in] mode algorithm of diagonalization (not used now) @param[in] n matrix dimension @param[in,out] a matrix to be diagonalized, overwritten by the eigenvectors on the exit @param[in] lda leading dimension of the matrix @param[out] eig eigenvalues @param[out] ierr status

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: mode
integer, intent(in) :: n
real(kind=dp), intent(inout) :: a(*)
integer, intent(in) :: lda
real(kind=dp), intent(out) :: eival(*)
integer, intent(out), optional :: ierr

public subroutine schmd(v, m, n, ldv, x)

Arguments

Type IntentOptional Attributes Name
real(kind=real64), intent(inout) :: v(ldv,n)
integer, intent(in) :: m
integer, intent(in) :: n
integer, intent(in) :: ldv
real(kind=real64), intent(inout) :: x(n)