diff --git a/src/davidson/diagonalize_ci.irp.f b/src/davidson/diagonalize_ci.irp.f index 63b084fc..d49b0690 100644 --- a/src/davidson/diagonalize_ci.irp.f +++ b/src/davidson/diagonalize_ci.irp.f @@ -411,6 +411,15 @@ END_PROVIDER END_PROVIDER +subroutine diagonalize_ci + implicit none + if (is_complex) then + call diagonalize_ci_complex + else + call diagonalize_ci_real + endif +end + subroutine diagonalize_CI_complex implicit none BEGIN_DOC @@ -429,7 +438,7 @@ subroutine diagonalize_CI_complex SOFT_TOUCH psi_coef_complex CI_electronic_energy_complex ci_energy CI_eigenvectors_complex CI_s2_complex psi_energy psi_s2 end -subroutine diagonalize_CI +subroutine diagonalize_CI_real implicit none BEGIN_DOC ! Replace the coefficients of the |CI| states by the coefficients of the