Bug: Oscillator strengths with EOMSOL 2 in EOM-CC


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Hello All,

If EOMSOL 2 is defined in the TCE block, the oscillator strength of only the first root is printed out. I assume this is a bug, as a feature it is a bit silly. Any way to circumvent it, or a patch to fix it would be cool!

Here's a quick example, without EOMSOL 2 the oscillator strengths of all 3 roots are printed:

START tce_h2o_eomcc
GEOMETRY UNITS BOHR
 H    1.474611052297904   0.000000000000000   0.863401706825835
 O    0.000000000000000   0.000000000000000  -0.215850436155089
 H   -1.474611052297904   0.000000000000000   0.863401706825835
END
BASIS
 * library sto-3g
END
SCF
 SINGLET
 RHF
END
TCE
 EOMSOL 2
 CCSD
 DIPOLE
 FREEZE CORE ATOMIC
 NROOTS 3
 TARGETSYM a1
 SYMMETRY a1
END
TASK TCE ENERGY