property ; all ; end should not include invalid options #1017
Description
When I use property; all; end when doing RHF SCF, NWChem tries to compute a property that is not valid. It would be good for the property input parser to exclude invalid options.
I also note that the error message is wrong. It should say UHF instead of ODFT when the property module is invoked for SCF rather than DFT.
An input file to reproduce is below.
Indirect spin-spin coupling not calculated for RHF
wave functions: needs UHF wave function
------------------------------------------------------------------------
use ODFT input keyword 0
------------------------------------------------------------------------
echo
start w2_scf_cc-pvdz_property
permanent_dir /tmp
scratch_dir /tmp
geometry units angstrom
O -0.000545 1.517541 0.000000
H 0.094538 0.553640 0.000000
H 0.901237 1.847958 0.000000
O -0.000545 -1.389760 0.000000
H -0.493527 -1.711924 0.761014
H -0.493527 -1.711924 -0.761014
end
basis "ao basis" spherical noprint
* library cc-pvdz
end
property
all
end
scf
singlet
rhf
end
task scf property