source: util/convert2old.sh@ 201832

#!/bin/sh
#
# converts config file back to old format, used by pcpopt

if [ -z "$2" ]; then
        echo "Usage: $o <config file> <outputfile>"
        exit 1
fi

input="$1"
output="$2"

echo "mainname pcp" >$output
echo "defaultpath ../defaults/pcp" >>$output
echo "pseudopotpath /nosave/heber/defaults/pseudopot" >>$output
PEGamma="`grep ^ProcPEGamma $input | awk -F'\t' {'print $2'}`"
PEPsi="`grep ^ProcPEPsi $input | awk -F'\t' {'print $2'}`"
echo "ProcsGammaPsi $PEGamma $PEPsi" >>$output
DoOutVis="`grep ^DoOutVis $input | awk -F'\t' {'print $2'}`"
echo "DoOutVis 0" >>$output
DoOutMes="`grep ^DoOutMes $input | awk -F'\t' {'print $2'}`"
echo "DoOutMes $DoOutMes" >>$output
AddGramSch="`grep ^AddGramSch $input | awk -F'\t' {'print $2'}`"
echo "AddGramSch $AddGramSch" >>$output
echo "MaxOuterStep 250 1.e-5" >>$output
MaxPsiStep="`grep ^MaxPsiStep $input | awk -F'\t' {'print $2'}`"
echo "MaxPsiStep $MaxPsiStep" >>$output

MaxMinStep="`grep ^MaxMinStep $input | awk -F'\t' {'print $2'}`"
RelEpsTotalE="`grep ^RelEpsTotalE $input | awk -F'\t' {'print $2'}`"
RelEpsKineticE="`grep ^RelEpsKineticE $input | awk -F'\t' {'print $2'}`"
MaxMinStopStep="`grep ^MaxMinStopStep $input | awk -F'\t' {'print $2'}`"
#echo -e "MaxMinStep\t\t$MaxMinStep \t$RelEpsTotalE \t$RelEpsKineticE\t$MaxMinStopStep" >>$output
echo "MaxMinStep      10      0.0001  0.01    1" >>$output
MaxMinStep="`grep ^MaxInitMinStep $input | awk -F'\t' {'print $3'}`"
RelEpsTotalE="`grep ^InitRelEpsTotalE $input | awk -F'\t' {'print $2'}`"
RelEpsKineticE="`grep ^InitRelEpsKineticE $input | awk -F'\t' {'print $2'}`"
MaxMinStopStep="`grep ^InitMaxMinStopStep $input | awk -F'\t' {'print $2'}`"
#echo -e "MaxInitMinStep\t$MaxMinStep \t$RelEpsTotalE \t$RelEpsKineticE\t$MaxMinStopStep" >>$output
echo "MaxInitMinStep  10      0.0001  0.01    1" >>$output

# BoxLength
BoxLength="`grep ^BoxLength $input --after-context=3 | awk -F"#" {'print $1'}`"
echo "$BoxLength" >>$output

ECut="`grep ^ECut $input | awk -F'\t' {'print $2'}`"
echo "ECut 24." >>$output

MaxLevel="`grep ^MaxLevel $input | awk -F'\t' {'print $2'}`"
echo "MaxLevel $MaxLevel" >>$output
Level0Factor="`grep ^Level0Factor $input | awk -F'\t' {'print $2'}`"
echo "Level0Factor $Level0Factor" >>$output
RiemannTensor="`grep ^RiemannTensor $input | awk -F'\t' {'print $2'}`"
echo "RiemannTensor $RiemannTensor" >>$output
PsiType="`grep ^PsiType $input | awk -F'\t' {'print $3'} | awk -F"#" {'print $1'}`"
echo "PsiType $PsiType" >>$output

MaxPsiDouble="`grep ^MaxPsiDouble $input | awk -F'\t' {'print $2'}`"
echo -e "MaxPsiDouble\t$MaxPsiDouble" >>$output

echo "Ions" >>$output
RCut="`grep ^RCut $input | awk -F'\t' {'print $3'}`"
echo "RCut 0.0" >>$output
IsAngstroem="`grep ^IsAngstroem $input | awk -F'\t' {'print $2'}`"
echo "IsAngstroem $IsAngstroem" >>$output

MaxTypes="`grep ^MaxTypes $input | awk -F'\t' {'print $2'}`"
echo "MaxTypes $MaxTypes" >>$output

echo "Ions_Data" >>$output

# IonsData
i=0
while [ "$i" -lt "$MaxTypes" ];do
        let i=$i+1
        grep "Ion_Type$i" $input | grep -v ^# | awk -F" " {'print $2" "$3" "$4" "$5" "$6" 0.05"'} | awk -F"#" {'print $1'} >>$output
done