Throw exception on invalid molecule spin state

[t-young31]

Resolves #218

[codecov[bot]]

Codecov Report

Merging #220 (5866ee8) into v1.3.4 (af3daee) will increase coverage by 0.04%. The diff coverage is 98.68%.

@@            Coverage Diff             @@
##           v1.3.4     #220      +/-   ##
==========================================
+ Coverage   97.08%   97.13%   +0.04%     
==========================================
  Files         195      196       +1     
  Lines       20011    20131     +120     
==========================================
+ Hits        19428    19554     +126     
+ Misses        583      577       -6     

Flag	Coverage Δ
unittests	97.13% <98.68%> (+0.04%)	:arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
tests/test_neb.py	99.43% <ø> (ø)
tests/test_wrappers/test_gaussian.py	97.02% <ø> (ø)
tests/test_wrappers/test_nwchem.py	100.00% <ø> (ø)
tests/test_wrappers/test_qchem.py	100.00% <ø> (ø)
tests/test_log.py	93.75% <66.66%> (-6.25%)	:arrow_down:
tests/test_calculation.py	99.27% <88.88%> (+<0.01%)	:arrow_up:
tests/test_utils.py	96.51% <91.66%> (+0.19%)	:arrow_up:
autode/__init__.py	100.00% <100.00%> (ø)
autode/atoms.py	100.00% <100.00%> (ø)
autode/calculations/calculation.py	99.31% <100.00%> (+<0.01%)	:arrow_up:
... and 36 more

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