deletions | additions       diff --git a/section_Single_Run_Inorder_to__.tex b/section_Single_Run_Inorder_to__.tex  index eb09c54..7f0c0a9 100644  --- a/section_Single_Run_Inorder_to__.tex  +++ b/section_Single_Run_Inorder_to__.tex 
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\section{Single Run}  Inorder to make FIREBALL to run a MDET simulation, one has to have a fireball.in, mdet.input, gamma.kpts, input.bas, VELOCITES. The input.bas and VELOCITES will be gathered from MD run.  \subsection{fireball.in}  =====================================\\  &option\\ \begin{minted}{bash}  &option  basisfile=input.bas\\  iensemble = 3\\ 3  iquench = 0\\ 0  nstepi = 1\\ 1  nstepf = 4000\\ 4000  iqout = 1\\ 1  icluster = 1\\ 1  dt = 0.25\\ 0.25  T_initial = 300.0\\ 300.0  rescal = 1.00\\ 1.00  tempfe = 300\\ 300  sigmatol = 1.00E-05\\ 1.00E-05  imdet = 1\\ 1  nddt = 100\\  &end\\  &output\\ 100  &end  &output  iwrtxyz = 1\\ 1  iwrtpop = 1\\ 1  iwrtvel = 0\\ 0  iwrteigen = 0\\ 0  iwrtefermi = 1\\ 1  iwrtfpieces = 0\\  &end\\  =====================================\\ 0  &end  \end{minted}  The important parts here are to set imdet = 1, set initial and final steps in nstepi and nstepf, set dt, and the Temprature.  %for iensemble you can choose 0, 1, 2, or 3   %\begin{itemsize}