diff --git a/docs/examples/other/FCI2-Si.tex b/docs/examples/other/FCI2-Si.tex index 0dc26e7b..03c15f38 100644 --- a/docs/examples/other/FCI2-Si.tex +++ b/docs/examples/other/FCI2-Si.tex @@ -112,7 +112,7 @@ Cyclopropenone &$^1B_1 (\Val; n \ra \pis)$ & 4.26 &4.27 &4.01 &4.53& 4.18 &4.28 &4.31 &4.21 &3.88 \\ &$^1A_2 (\Val; n \ra \pis)$ & 5.55 &5.65 &5.65 &5.40& &5.59 &5.59 &5.57 &5.47 \\ &$^1B_2 (\mathrm{R}; n \ra 3s)$ & 6.34 &6.32 &5.84 &6.44& 6.36 &6.35 &6.38 &6.32 &5.79 \\ - &$^1B_2 (\Val; \pi \ra \pis$) & 6.54 &6.60 &6.46 &6.82& &6.59 &6.61 &6.54 &6.33 \\ + &$^1B_2 (\Val; \pi \ra \pis)$ & 6.54 &6.60 &6.46 &6.82& &6.59 &6.61 &6.54 &6.33 \\ &$^1B_2 (\mathrm{R}; n \ra 3p)$ & 6.98 &6.48 &6.56 &7.09& 7.07 &6.98 & &6.96 &6.43 \\ &$^1A_1 (\mathrm{R}; n \ra 3p)$ & 7.02 &6.54 &6.47 &7.12& &7.02 &7.06 &7.00 &6.41 \\ &$^1A_1 (\Val; \pi \ra \pis)$ & 8.28 &8.22 &8.28 &8.35& 8.19 &8.29 & &8.28 &8.10 \\ diff --git a/tools/lib/data.py b/tools/lib/data.py index 30f4e934..421980d0 100644 --- a/tools/lib/data.py +++ b/tools/lib/data.py @@ -214,6 +214,6 @@ class excitationBase: class excitationValue(excitationBase): def __init__(self,initial, final, value, type=None, T1=None,isUnsafe=False,oscilatorForces=None): - super(excitationValue,self).__init__(initial, final,type=type,T1=T1,isUnsafe=False) + super(excitationValue,self).__init__(initial, final,type=type,T1=T1,isUnsafe=isUnsafe) self.value = value self.oscilatorForces = oscilatorForces