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ejb-dissertation.sty
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\NeedsTeXFormat{LaTeX2e}
\ProvidesPackage{ejb-dissertation}
\RequirePackage{algorithm}
\RequirePackage{algpseudocode}
\RequirePackage{bm}
\RequirePackage{booktabs}
\RequirePackage{braket}
% \RequirePackage{fontspec}
\RequirePackage{graphicx}
\RequirePackage{longtable}
\RequirePackage{makecell}
\renewcommand{\cellalign}{cl}
\RequirePackage[version=4]{mhchem}
\newcommand{\arlidimer}{\ce{Ar\bond{....}Li+}}
\RequirePackage[final]{microtype}
\RequirePackage{multirow}
\RequirePackage{pdflscape}
\RequirePackage{soul}
\RequirePackage{tabulary}
\RequirePackage[flushleft]{threeparttable}
\RequirePackage{xspace}
\RequirePackage[usenames,dvipsnames,svgnames,hyperref,table]{xcolor}
\definecolor{caliblue}{HTML}{015482}
\definecolor{carmine}{HTML}{960018}
\RequirePackage{cancel}
\newcommand\Ccancelto[3][black]{\renewcommand\CancelColor{\color{#1}}\cancelto{#2}{#3}}
\RequirePackage[%
separate-uncertainty = true,%
multi-part-units = single,%
range-phrase = {\text{ to }},%
range-units = single,%
retain-explicit-plus = true,%
]{siunitx}
\DeclareSIUnit\Molar{M}
\DeclareSIUnit\au{a.u.}
\DeclareSIUnit\cal{cal}
\DeclareSIUnit\debye{D}
\DeclareSIUnit\electron{e^{-}}
\DeclareSIUnit\kcal{\kilo\cal}
\DeclareSIUnit\micron{\micro\metre}
\DeclareSIUnit\torr{Torr}
\DeclareSIUnit\wavenumber{\per\centi\metre}
\newcommand{\aud}{\si{\bohr\cubed}}
\RequirePackage{listings}
\lstset{%
basicstyle=\ttfamily\footnotesize,%
breakatwhitespace=true,%
breaklines=false,%
frame=none,%
numberbychapter=false,%
numbers=left,%
numberstyle=\tiny,
}
\RequirePackage{minted}
\setminted{%
breaklines=true,%
fontsize=\footnotesize,%
frame=none,%
linenos=true,%
mathescape=true,%
python3=true,%
texcomments=false,%
}
% stop it, pittetd
\BeforeBeginEnvironment{algorithmic}{\begin{singlespace}}
\AfterEndEnvironment{algorithmic}{\end{singlespace}}
\BeforeBeginEnvironment{minted}{\begin{singlespace}}
\AfterEndEnvironment{minted}{\end{singlespace}}
\newcommand{\cotil}{\ce{CO2}\textendash{}IL}
\newcommand{\hefe}{Hellmann\textendash{}Feynman}
\newcommand{\hf}{Hartree\textendash{}Fock}
\newcommand{\ks}{Kohn\textendash{}Sham}
\newcommand{\qchem}{\textsc{Q-Chem}}
\newcommand{\schrod}{Schr{\"{o}}dinger}
\newcommand{\szabo}{Szabo \& Ostlund}
\newcommand{\pdalton}{\textsc{Dalton}}
\newcommand{\libresponse}{\texttt{libresponse}}
\newcommand{\psif}{\textsc{Psi4}}
\newcommand{\response}{\textsc{Response}}
\newcommand{\numpy}{\textsc{NumPy}}
\newcommand{\pfour}{\textsc{Psi4}}
\newcommand{\pfn}{\textsc{Psi4NumPy}}
\newcommand{\arrayint}{\texttt{array\_interface}}
\newcommand{\einsum}{\texttt{einsum}}
\newcommand{\latin}[1]{\textit{#1}}
\newcommand{\op}[1]{\ensuremath{\hat{#1}}}
\newcommand{\mat}[1]{\ensuremath{\mathbf{#1}}}
\newcommand{\Order}[1]{\ensuremath{\mathcal{O}\left(#1\right)}}
\newcommand{\tr}[1]{\ensuremath{{\mathrm{Tr}}\left\{#1\right\}}}
\newcommand{\eq}[1]{eq.~(\ref{#1})}
\newcommand{\citen}[1]{ref.~\parencite{#1}}
\newcommand{\lr}[2]{\braket{\braket{\op{#1}; \op{#2}}}}
\newcommand{\lrs}[4]{\braket{\braket{\op{#1}_{#2}; \op{#3}_{#4}}}}
% optionally don't use uppercase for document classes that aren't
% garbage
\renewcommand{\caps}[1]{\uppercase{#1}}
% \renewcommand{\caps}[1]{{#1}}
\hyphenation{im-id-a-zol-i-um meth-yl-im-id-a-zol-i-um hexa-fluoro-phos-phate tetra-fluoro-borate tri-fluoro-methyl-sulfonyl tri-fluoro-acetate di-cyan-amide red-shift red-shifts electro-statics wave-function}
% I have opted to include simple metadata through hyperref and
% hyperxmp rather than the XMP file that can be generated through the
% Creative Commons license chooser:
% https://creativecommons.org/choose/#metadata
\RequirePackage{hyperxmp}
% \RequirePackage{xmpincl}
% \includexmp{CC_Attribution-NonCommercial-ShareAlike_4.0_International}
\hypersetup{%
unicode=true,%
colorlinks=true,%
citecolor=black,%
linkcolor=caliblue,%
anchorcolor=caliblue,%
urlcolor=carmine,%
pdflicenseurl={https://creativecommons.org/licenses/by-nc-sa/4.0/},%
pdfcaptionwriter={Eric Berquist},%
pdfcontactemail={[email protected]},%
pdfcontacturl={https://keybase.io/berquist},%
baseurl={https://github.com/berquist/dissertation},%
}
\renewcommand{\thefootnote}{\alph{footnote}}
\endinput