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#!/bin/bash if [ -e STOPCAR ] ; then rm STOPCAR ; fi # security comprobation if [ -e CONTCAR ] ; then # exist if [ -s CONTCAR ] ; then # nonzero lenght # do I need to account? if [ -e poscar_1 ] ; then # count i=0 j=0 while [ $j = 0 ] ; do i=$[$i+1] if -e poscar_$i ; then j=0 ; else j=1 ; fi done # save files mv POSCAR poscar_$i mv OUTCAR outcar_$i mv CONTCAR POSCAR mv OSZICAR oszicar_$i mv vasprun.xml vasprun_$i.xml else mv POSCAR poscar_1 mv OUTCAR outcar_1 mv CONTCAR POSCAR mv OSZICAR oszicar_1 mv vasprun.xml vasprun_1.xml fi else rm CONTCAR # if zero lenght fi fi