Wrong symmetry assignments in TDDFT

[dmejiar]

Describe the bug
The pol check

nwchem/src/nwdft/lr_tddft/tddft_analysis.F

Lines 794 to 798 in 3377a29

	if (pol.lt.1) then
	jsym=ieor(isym-1,int_mb(k_irs(pol)+occ-1)-1)+1
	jsym=ieor(jsym-1,int_mb(k_irs(pol)+vir-1)-1)+1
	call sym_irrepname(geom,jsym,oname)
	endif ! pol check

leads to wrong symmetry assignments since pol is either 1 or 2. This leads to assigning the ground state symmetry to the first root, and the symmetry of the HOMO to all other roots.

To Reproduce
Run QA/tests/tddft_h2o/tddft_h2o.nw with current master branch

Expected behavior
Symmetry labels should be the same as in QA/tests/tddft_h2o/tddft_h2o.out

[edoapra]

Fixed