xmolecule_setup Subroutine

public subroutine xmolecule_setup(xdata_cptr, filename, lenfilename) bind(c)

sets up the xmol object reads in the input parameters and prepares for the calculation

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
character(len=c_char),	intent(inout)			::	filename(lenfilename)	input filename
integer(kind=c_int),	intent(in)			::	lenfilename	length of input filename