LCPQ/DEHam
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update README.

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v1j4y 2020-03-16 14:29:35 +01:00
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@ -56,7 +56,7 @@ true # Restrict the hole to the 1'st (i.e. half of natom) Family of states.
.1430,-0.20,0.0000 # The three types of links this line gives J, K
.1430,-0.20,0.0000 #
-1.00,0.0,0.00 # This line gives t
0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital
0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + one extra term
2 # The total number of roots
1 # I The position of the first
1 # I SBox