%***********************************************************************
% This file is part of OpenMolcas.                                     *
%                                                                      *
% OpenMolcas is free software; you can redistribute it and/or modify   *
% it under the terms of the GNU Lesser General Public License, v. 2.1. *
% OpenMolcas is distributed in the hope that it will be useful, but it *
% is provided "as is" and without any express or implied warranties.   *
% For more details see the full text of the license in the file        *
% LICENSE or in <http://www.gnu.org/licenses/>.                        *
%                                                                      *
% Copyright (C) 2015-2017, Ignacio Fdez. Galván                        *
%***********************************************************************

\RequirePackage{mhchem}

% Custom math command definitions
\DeclareMathOperator{\sign}{sign}
\DeclareMathOperator{\abs}{abs}
\DeclareMathOperator{\Tr}{Tr}
\newcommand{\mat}[1]{\boldsymbol{#1}}
\newcommand{\bra}[1]{\left<#1\right|}
\newcommand{\ket}[1]{\left|#1\right>}
\newcommand{\braket}[2]{\left<#1\middle|#2\right>}
\newcommand{\braopket}[3]{\left<#1\middle|#2\middle|#3\right>}

% Custom role definitions
\newcommand{\DUroleprogram}[1]{\texttt{\textbf{#1}}} % uppercased with a docutils Transform
\newcommand{\DUrolefile}[1]{\texttt{\textit{#1}}}
\newcommand{\DUrolekword}[1]{\textsc{\textbf{#1}}}
\newcommand{\DUrolecommand}[1]{\textsf{#1}}
\newcommand{\DUrolevariable}[1]{\textrm{#1}}
\newcommand{\DUrolesc}[1]{\textsc{#1}}
\newcommand{\DUrolebdit}[1]{\textbf{\textit{#1}}}

% Override defaults
%  cross-references and citations
\renewcommand{\sphinxcrossref}[1]{#1}
%  font in code blocks
\fvset{fontsize=\footnotesize}
