Update documentation examples with LaTeX options

docs/examples/double-tbe.tex

@@ -14,6 +14,11 @@
 \newcommand{\nO}{n_\text{O}}
 \newcommand{\nN}{n_\text{N}}
 
+\begin{dfbOptions}
+  \format{DoubleTBE}
+  \suffix{double}
+\end{dfbOptions}
+
 \begin{tabular}
 	Molecule		&	Transition												&	\multicolumn{2}{c}{Reference}			&	\multicolumn{2}{c}{Correction}				&	\multicolumnc{TBE}	\\
 					&															&	Level R/SB						&	$\Delta E_\text{R/SB}$			

docs/examples/double.tex

@@ -21,7 +21,10 @@
 \newcommand{\sisCC}{\si_{\ce{CC}}^\star}
 \newcommand{\siCO}{\si_{\ce{CO}}}
 \newcommand{\sisCO}{\si_{\ce{CO}}^\star}
-
+\begin{dfbOptions}
+  \format{DoubleColumn}
+  \suffix{double}
+\end{dfbOptions}
 \begin{tabular}
 	Molecule		&	Transition					&	Method	&	\multicolumn{4}{c}{Basis set}						&	\multicolumn{1}{c}{Lit.}	\\					
 					&							&			&\multicolumn{1}{c}{6-31+G(d)}&	\multicolumn{1}{c}{\AVDZ}&	\multicolumn{1}{c}{\AVTZ}&	\multicolumn{1}{c}{\AVQZ}				&\\

docs/examples/exoticcolumn.tex

@@ -4,7 +4,17 @@
 \newcommand{\AVQZ}{aug-cc-pVQZ}
 \newcommand{\AVFZ}{aug-cc-pV5Z}
 \newcommand{\Td}{\%T_1}
-
+\begin{dfbOptions}
+  \format{exoticcolumn}
+  \firstState[\ce{CClF}]{^1A^\prime}
+  \firstState[Formylfluoride]{^1A^\prime}
+  \firstState[\ce{HCCl}]{^1A^\prime}
+  \firstState[\ce{HCF}]{^1A^\prime}
+  \firstState[\ce{HCP}]{^1\Sigma^+}
+  \firstState[\ce{HPO}]{^1A^\prime}
+  \firstState[\ce{HPS}]{^1A^\prime}
+  \firstState[\ce{HSiF}]{^1A^\prime}
+\end{dfbOptions}
 
 \begin{tabular}
         &	&\multicolumn{3}{c}{\AVTZ}  & CBS & \multicolumn{4}{c}{\Pop} & \multicolumn{4}{c}{\AVDZ}  & \multicolumn{4}{c}{\AVTZ} \\

docs/examples/other/FCI-SI.tex

@@ -1,3 +1,16 @@
+\begin{dfbOptions}
+	\format{Column}
+      \firstState[Acetaldehyde]{^1A^\prime}
+      \firstState[Acetylene]{^1\Sigma_g}
+      \firstState[Carbon monoxide]{^1\Sigma^+}
+      \firstState[Dinitrogen]{^1\Sigma_g}
+      \firstState[Ethylene]{^1A_g}
+      \firstState[Formamide]{^1A^\prime}
+      \firstState[Hydrogen chloride]{^1\Sigma^+}
+      \firstState[Methanimine]{^1A^\prime}
+      \firstState[Nitrosomethane]{^1A^\prime}
+\end{dfbOptions}
+
 \begin{tabular}
    & \multicolumn{14}{c}{aug-cc-pVTZ}\\
    Compound & State	& TBE(FC) & CIS(D) & CIS(D∞) & CC2 & STEOM-CCSD & CCSD & CCSDR(3) &CCSDT-3& CC3& CCSDT& CCSDTQ&ADC(2)& ADC(3) \\

docs/examples/other/FCI2-Si.tex

@@ -33,6 +33,24 @@
 \newcommand{\Fl}{\mathrm{F}}
 \newcommand{\ra}{\rightarrow}
 
+\begin{dfbOptions}
+	\format{Column}
+	\firstState[Acrolein]{^1A^\prime}
+        \firstState[Benzene]{^1A_{1g}}
+        \firstState[Butadiene]{^1A_g}
+        \firstState[Cyanoacetylene]{^1\Sigma^+}}
+        \firstState[Cyanoformaldehyde]{^1A^\prime}
+        \firstState[Cyanogen]{^1\Sigma_g^+}
+        \firstState[Diacetylene]{^1A^\prime}
+        \firstState[Glyoxal]{^1A_g}
+        \firstState[Imidazole]{^1A^\prime}
+        \firstState[Propynal]{^1A^\prime}
+        \firstState[Pyrazine]{^1A_g}
+        \firstState[Tetrazine]{^1A_g}
+        \firstState[Thiopropynal]{^1A^\prime}
+        \firstState[Triazine]{^1A^\prime}
+\end{dfbOptions}
+
 \begin{tabular}
   & & \multicolumn{9}{c}{aug-cc-pVTZ}\\
    Compound & State	& TBE(FC) & CIS(D)  & CC2  & CCSD & STEOM-CCSD & CCSDR(3) &CCSDT-3& CC3& ADC(2) \\

docs/examples/other/exotic-si1.tex

@@ -24,6 +24,18 @@
 \newcommand{\TAVQZ}{t-aug-cc-pVQZ}
 \newcommand{\AVPZ}{aug-cc-pV5Z}
 \newcommand{\DAVPZ}{d-aug-cc-pV5Z}
+\begin{dfbOptions}
+      \format{exoticcolumn}
+      \firstState[\ce{CClF}]{^1A^\prime}
+      \firstState[Formylfluoride]{^1A^\prime}
+      \firstState[\ce{HCCl}]{^1A^\prime}
+      \firstState[\ce{HCF}]{^1A^\prime}
+      \firstState[\ce{HCP}]{^1\Sigma^+}
+      \firstState[\ce{HPO}]{^1A^\prime}
+      \firstState[\ce{HPS}]{^1A^\prime}
+      \firstState[\ce{HSiF}]{^1A^\prime}
+\end{dfbOptions}
+
 
 \begin{tabular} 
         &	&{\Pop} 	& {\AVDZ}		& {\AVTZ}		& {\AVQZ}		& {\AVQZ}	& {\AVQZ}		& {\ACVQZ}& {\AVPZ}\\

docs/examples/other/exotic-si2.tex

@@ -24,6 +24,17 @@
 \newcommand{\TAVQZ}{t-aug-cc-pVQZ}
 \newcommand{\AVPZ}{aug-cc-pV5Z}
 \newcommand{\DAVPZ}{d-aug-cc-pV5Z}
+\begin{dfbOptions}
+	\format{exoticcolumn}
+	\firstState[\ce{CClF}]{^1A^\prime}
+	\firstState[Formylfluoride]{^1A^\prime}
+	\firstState[\ce{HCCl}]{^1A^\prime}
+	\firstState[\ce{HCF}]{^1A^\prime}
+	\firstState[\ce{HCP}]{^1\Sigma^+}
+	\firstState[\ce{HPO}]{^1A^\prime}
+	\firstState[\ce{HPS}]{^1A^\prime}
+	\firstState[\ce{HSiF}]{^1A^\prime}
+\end{dfbOptions}
 
 \begin{tabular}
   &     & \multicolumn{16}{c}{\AVTZ} \\

docs/examples/other/exotic-si3.tex

@@ -24,6 +24,32 @@
 \newcommand{\TAVQZ}{t-aug-cc-pVQZ}
 \newcommand{\AVPZ}{aug-cc-pV5Z}
 \newcommand{\DAVPZ}{d-aug-cc-pV5Z}
+\begin{dfbOptions}
+	\format{exoticcolumn}
+      \firstState{^2A_1}
+      \firstState[Allyl]{^2A_2}
+      \firstState[\ce{BeF}]{^2\Sigma^+}
+      \firstState[\ce{BeF}]{^2\Sigma^+}
+      \firstState[\ce{BeH}]{^2\Sigma^+}
+      \firstState[\ce{CH}]{^2\Pi}
+      \firstState[\ce{CH3}]{^2A_2^{\prime\prime}}
+      \firstState[\ce{CN}]{^2\Sigma^+}
+      \firstState[\ce{CNO}]{^2\Sigma^+}
+      \firstState[\ce{CO+}]{^2\Sigma^+}
+      \firstState[\ce{F2BO}]{^2B_2}
+      \firstState[\ce{H2BO}]{^2B_2}
+      \firstState[\ce{HCO}]{^2A^\prime}
+      \firstState[\ce{HOC}]{^2A^\prime}
+      \firstState[\ce{H2PO}]{^2A^\prime}
+      \firstState[\ce{H2PS}]{^2A^\prime}
+      \firstState[\ce{NCO}]{^2\Pi}
+      \firstState[\ce{NH2}]{^2B_1}
+      \firstState[Nitromethyl]{^2B_1}  
+      \firstState[\ce{NO}]{^2B_1}
+      \firstState[\ce{OH}]{^2\Pi}
+      \firstState[\ce{PH2}]{^2B_1}
+      \firstState[Vinyl]{^2A^{\prime\prime}}
+\end{dfbOptions}
 
 \begin{tabular}
       &     & \multicolumn{5}{c}{\AVTZ} \\

docs/examples/tbe.tex

@@ -28,6 +28,18 @@
 \newcommand{\pis}{\pi^\star}
 \newcommand{\Ryd}{\mathrm{R}}
 
+\begin{dfbOptions}
+  \format{TBE}
+  \firstState[Acetaldehyde]{^1A^\prime}
+  \firstState[Acetylene]{^1\Sigma_g}
+  \firstState[Carbon monoxyde]{^1\Sigma^+}
+  \firstState[Dinitrogen]{^1\Sigma^+}
+  \firstState[Ethylene]{^1A_g}
+  \firstState[Formamide]{^1A^\prime}
+  \firstState[Hydrogen chloride]{^1A^\prime}
+  \firstState[Methanimine]{^1A^\prime}
+  \firstState[Nitrosomethane]{^1A^\prime}
+\end{dfbOptions}
 \begin{tabular}{llcccccc}
                         &		&	&		& TBE(FC)&  \multicolumn{3}{c}{Corrected TBE} \\
                         & State	 & $f$ & \%$T_1$ & 	AVTZ	& Method & Corr.	& Value \\