I found the issue as to why it wasn't printing. It will require a slight code change and recompile.
in src/property/prop_input.F replace:
elseif ( inp_compare(.false., 'end', test)) then
with:
else if (inp_compare(.false.,'print', test) .or.
$ inp_compare(.false.,'noprint', test)) then
call util_print_input(rtdb, 'prop')
elseif ( inp_compare(.false., 'end', test)) then
Effectively, you need to add those three lines. Recompile, and now set the print statement in the property block
property
mulliken
print "overlap population"
end
Thanks,
Bert
|