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Update README.md
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README.md
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README.md
@ -72,19 +72,19 @@ true # Restrict the hole to the 1'st (i.e. half of natom) Family of states.
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.1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along x axis
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.1430,-0.20,0.0000 # The three types of links this line gives J, K, J2 along y axis
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-1.00,0.0,0.00 # This line gives t
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0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + one extra term
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0.,0.,0.,0.,0.,0.,0.,0.,0. # Energy of each orbital + *one extra term*
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2 # The total number of roots
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1 # I The position of the first
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1 # I SBox
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1 # I
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1 # I
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1 # I a1 The position of the first
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1 # I a2 SBox (starts from 0 )
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1 # I b1
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1 # I b2
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1 # II The positions of the second
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1 # II SBox
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1 # II SBox (starts from 0)
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1 # II
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1 # II
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1 # III
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1 # III The positions of the third
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1 # III SBox
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1 # III SBox (starts from 0)
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1 # III
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1 # positio of the hole
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0 # fix the position of the first hole during the CI
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