Dalton to a.u. conversion

[felixplasser]

theodore-qc/theodore/units.py

Line 33 in 50e5fb0

'amu':1822.889 # atomic mass unit in a.u. = 1/constants['Nl']/mass['kg']/1000

This number should be the inverse. One a.u. (= 1 electron mass) is only a tiny fraction of one Dalton.