adapt_wf_nr_basis Subroutine

public subroutine adapt_wf_nr_basis(b, f)

in case the number of basis functions has changed dynamically due to out-projection of high overlap matrix eigenvalues we here adapt the wavefunction object, so that we can smoothly continue the calculation

Arguments

Type IntentOptional Attributes Name
type(basis), intent(in) :: b
type(wf_data), intent(inout) :: f