Documentation for module cp_cfm_diag

used for collecting diagonalization schemes available for cp_cfm_type

source: cp_cfm_diag.F

public Subroutines/Functions:

General Eigenvalue Problem AX = BXE Single option version: Cholesky decomposition of B
General Eigenvalue Problem AX = BXE Use canonical orthogonalization
Perform a diagonalisation of a complex matrix

SUBROUTINEcp_cfm_geeig(amatrix, bmatrix, eigenvectors, eigenvalues, work)^

General Eigenvalue Problem AX = BXE Single option version: Cholesky decomposition of B

Arguments:
 TYPE(cp_cfm_type), POINTER :: amatrix ... TYPE(cp_cfm_type), POINTER :: bmatrix ... TYPE(cp_cfm_type), POINTER :: eigenvectors ... REAL(dp) :: eigenvalues(:) ... TYPE(cp_cfm_type), POINTER :: work ...

SUBROUTINEcp_cfm_geeig_canon(amatrix, bmatrix, eigenvectors, eigenvalues, work, epseig)^

General Eigenvalue Problem AX = BXE Use canonical orthogonalization

Arguments:
 TYPE(cp_cfm_type), POINTER :: amatrix ... TYPE(cp_cfm_type), POINTER :: bmatrix ... TYPE(cp_cfm_type), POINTER :: eigenvectors ... REAL(dp) :: eigenvalues(:) ... TYPE(cp_cfm_type), POINTER :: work ... REAL(dp), INTENT(in) :: epseig ...

SUBROUTINEcp_cfm_heevd(matrix, eigenvectors, eigenvalues)^

Perform a diagonalisation of a complex matrix

Arguments:
 TYPE(cp_cfm_type), POINTER :: matrix ... TYPE(cp_cfm_type), POINTER :: eigenvectors ... REAL(dp), INTENT(out) :: eigenvalues(:) ...