| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(DavidsonCalcType), | intent(inout) | :: | this |
subroutine davidson_direct_ci_end(this) type(DavidsonCalcType), intent(inout) :: this integer :: ierr if (allocated(hamil_diag)) then deallocate(hamil_diag, stat=ierr) call LogMemDealloc("davidson_direct_ci_end", HDiagTag, ierr) end if if (allocated(this%davidson_eigenvector)) then deallocate(this%davidson_eigenvector, stat=ierr) call LogMemDealloc("davidson_direct_ci_end", DavidsonTag, ierr) end if write(stdout, '(/,1X,"Direct CI Davidson calculation complete.",/)'); call neci_flush(stdout) write(stdout, "(1X,a10,f16.10)") "GROUND E =", this%davidson_eigenvalue; call neci_flush(stdout) end subroutine davidson_direct_ci_end