xmolecule_set_calculate_ci_overlap Subroutine

public subroutine xmolecule_set_calculate_ci_overlap(xdata_cptr, yes) bind(c)

triggers calculation of CI overlap

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
integer(kind=c_int),	intent(in)			::	yes