ENdiagram — Potential Energy Curves

This has been sleeping for quite a while. Some new features here, some polishing there, correcting bugs, completely forgetting about if after I didn’t need it anymore… Well, here it is: ENdiagram. The package for the creation of potential energy curves. Another chemistry niche filled with a package. Before I tell you just a little bit what it does let’s see some pictures: This picture was created using the following lines: [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \begin{document} \begin{endiagram} \ENcurve{1,4,0} \end{endiagram} \end{document}[/cce] Actually I won’t tell you much. I’ll let the pictures speak for themselves, in addition to the source code. So here we go: a few words, a picture, code, a few words, a picture, code, a few words… You can visualize energy gain or loss by simply adding one command: [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \begin{document} \begin{endiagram} \ENcurve{3,4,0} \ShowGain[label] \end{endiagram} \end{document}[/cce] You can also visualize the activation energy by using a similar command: [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \begin{document} \begin{endiagram} \ENcurve{1,5,2.5,4,0} \ShowEa[from={(0,1) to (6,4)}] \end{endiagram} \end{document}[/cce] It’s not limited to one curve… you can insert as many as you like (and also use colors): [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \begin{document} \begin{endiagram} \ENcurve[tikz=blue]{1,4,0} \ENcurve[tikz=red]{1,2.5,0} \ShowEa[tikz={red,<->}] \end{endiagram} \end{document}[/cce] The curves can have a different numbers of maxima, a different line style, shifted maxima, … [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \begin{document} \begin{endiagram} \ENcurve[step=4]{1,6,0} \ENcurve[tikz={densely dotted}] {1,4[1],2.5,3[-1],0} \end{endiagram} \end{document}[/cce] Now let’s add some numbers. The packages allows to add a scale to the y-axis and calculate energy gain/loss automatically: [cce lang=”latex”]% arara: pdflatex \documentclass{scrartcl} \usepackage{endiagram} \DeclareSIUnit{\calory}{cal} \begin{document} \sisetup{per-mode = fraction} \ENsetup{ energy-step = 100, energy-unit = \kilo\calory\per\mole, energy-unit-separator = { in }, y-label = above, AddAxisLabel/font = \footnotesize } \begin{endiagram}[scale=1.5] \ENcurve{2.232,4.174,.308} \AddAxisLabel*{0;1;2;3;4} \ShowEa[label,connect={draw=none}] \ShowGain[label] \end{endiagram} \end{document}[/cce] Intrigued? I need feedback if I want to improve the package and before I’ll upload it to CTAN. So if you find the package useful for your needs you can get it here. Many parts of the package may still be very buggy and are at least experimental. Also you may expect difficulties and an update as soon TeX Live 2012 is officially released and the l3kernel packages are updated. ENdiagram is available from CTAN and also part of MiKTeX and TeX Live 2012.