diff --git a/docs/examples/fromXLSToLaTeX2.tex b/docs/examples/fromXLSToLaTeX2.tex index 5e4923f5..444dd4ef 100644 --- a/docs/examples/fromXLSToLaTeX2.tex +++ b/docs/examples/fromXLSToLaTeX2.tex @@ -76,7 +76,7 @@ \end{dfbOptions} \begin{tabular} - & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [TBE] & $f$ [CC3] & TBE & Method & Safe ? & & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSD(T)(a) & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [QC] & ADC(2) & ADC(3) & ADC(2.5) \\ + & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [CC3] & $f$ [CC3] & TBE & Method & Safe ? & & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSD(T)(a) & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [QC] & ADC(2) & ADC(3) & ADC(2.5) \\ 1 & Acetaldehyde & 3 & 13 & $^1A^{\prime\prime}$ & 1 & V & npi & 91.3 & 0.000 & 4.31 & exFCI/AVTZ & Y & & 4.36 & 4.41 & 4.31 & 4.25 & 4.36 & 4.31 & 4.31 & 4.32 & 4.31 & 4.29 & 4.39 & 4.54 & 4.50 & 4.18 & 4.24 & 4.29 & 4.27 \\ 2 & & 3 & 13 & $^3A^{\prime\prime}$ & 3 & V & npi & 97.9 & & 3.97 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y & & 3.96 & 3.98 & 3.92 & 3.95 & 3.95 & & & & 3.95 & 3.94 & 4.07 & 4.20 & 4.13 & 3.89 & 3.83 & 3.89 & 3.86 \\ 3 & Acetone & 4 & 4 & $^1A_2$  & 1 & V & npi & 91.1 & & 4.47 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y & & 4.51 & 4.55 & 4.52 & 4.40 & 4.54 & 4.48 & 4.48 & 4.49 & 4.48 & 4.46 & 4.52 & 4.68 & 4.64 & 4.31 & 4.37 & 4.50 & 4.44 \\ diff --git a/docs/examples/fromXLSToLaTeXdouble.tex b/docs/examples/fromXLSToLaTeXdouble.tex index 86559618..08d8ef5f 100644 --- a/docs/examples/fromXLSToLaTeXdouble.tex +++ b/docs/examples/fromXLSToLaTeXdouble.tex @@ -18,7 +18,7 @@ \end{dfbOptions} \begin{tabular} - & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [TBE] & $f$ [TBE] & TBE & Method & Safe ? & & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSD(T)(a)* & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [QC] & ADC(2) & ADC(3) & ADC(2.5) \\ + & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [CC3] & $f$ [CC3] & TBE & Method & Safe ? & & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSD(T)(a)* & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [QC] & ADC(2) & ADC(3) & ADC(2.5) \\ 1 & Acrolein & 4 & 4 & $^1A^\prime$  & 1 & V & dou & 75.0 & n.d. & 7.87 & exFCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y & & & & & & & & & & 8.08 & & & & & & & & \\ 2 & Beryllium & 1 & 13 & $^1D$ & 1 & R & dou & 32.0 & & 7.15 & exFCI/AVTZ & Y & & & & & & & & & & 7.17 & 7.15 & & & & & & & \\ 3 & Benzene & 6 & 56 & $^1E_{2g}$   & 1 & V & ppi & 73.0 & & 8.28 & exFCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y & & & & & & & & & & 8.38 & & & & & & & & \\