deletions | additions       diff --git a/sectionComputational.tex b/sectionComputational.tex  index 63dead7..da3d4fc 100644  --- a/sectionComputational.tex  +++ b/sectionComputational.tex 
...
to an error of \(10^{-7}\) in the Frobenius norm (vectorial  2-norm).  All quantum mechanical Hessian calculations were performed with  QChem  All quantum mechanical Hessian calculations were performed with a GPU  accelerated version of the freely-available open-source Octopus  code~\cite{Andrade2012a,Andrade2013} using norm-conserving  pseudo-potentials~\cite{Troullier1991} and the LDA  exchange-correlation functional in the Teter 93~\cite{Goedecker1996}  parametrization. All molecular .  Molecular  mechanicsHessian  calculations were performed using freely-available open-source Tinker code using the  {\color{red}XX} force field.