#!/bin/bash

MAD_PBE=""
MAD_B86b=""
MAD_RPBE=""
MAD_B86b2=""
MAD_PBE2=""
#H2
j=1
for i in {1..10}
do
  exp=`awk 'NR == '$i' {print $2}' exp.H2.v0`
  PBE=`awk 'NR == '$i' {print $2}' MS.PBE-rVV10.H2.v0`
  B86b=`awk 'NR == '$i' {print $2}' MS.B86b-rVV10.H2.v0`
  RPBE=`awk 'NR == '$i' {print $2}' MS.RPBE-rVV10.H2.v0`
  B86b2=`awk 'NR == '$i' {print $2}' MS.B86b.H2.v0`
  PBE2=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.H2.v0`
  
  if [ "$i" == "10" ]; then
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE))  "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b))  "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE))  "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2))  "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) "
  else
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE)) + "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b)) + "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE)) + "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2)) + "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) + "
  fi
  ((j++))
done
j=10
echo "MAD H2 v=0 MS-PBEl-rVV10:"
echo "($MAD_PBE )/ $j " | bc -l
echo
echo "MAD H2 v=0 MS-B86b-rVV10:"
echo "($MAD_B86b )/ $j " | bc -l
echo 
echo "MAD H2 v=0  MS-RPBEl-rVV10:"
echo "($MAD_RPBE )/ $j " | bc -l
echo 
echo "MAD H2 v=0 MS-B86b:"
echo "($MAD_B86b2 )/ $j " | bc -l
echo
echo "MAD H2 v=0 MS-PBE:"
echo "($MAD_PBE2 )/ $j " | bc -l


#echo "B86b-rVV10 v0 = $MAD_B86b"

echo "------------------------------------------------------------"
echo

MAD_T_PBE="$MAD_PBE"
MAD_T_B86b="$MAD_B86b"
MAD_T_RPBE="$MAD_RPBE"
MAD_T_B86b2="$MAD_B86b2"
MAD_T_PBE2="$MAD_PBE2"

MAD_PBE=""
MAD_B86b=""
MAD_RPBE=""
MAD_B86b2=""
MAD_PBE2=""

#H2
j=1
for i in {1..8}
do
  exp=`awk 'NR == '$i' {print $2}' exp.H2.v1`
  PBE=`awk 'NR == '$i' {print $2}' MS.PBE-rVV10.H2.v1`
  B86b=`awk 'NR == '$i' {print $2}' MS.B86b-rVV10.H2.v1`
  RPBE=`awk 'NR == '$i' {print $2}' MS.RPBE-rVV10.H2.v1`
  B86b2=`awk 'NR == '$i' {print $2}' MS.B86b.H2.v1`
  PBE2=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.H2.v1`
  if [ "$i" == "8" ]; then
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE))  "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b))  "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE))  "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2))  "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) "
  else
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE)) + "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b)) + "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE)) + "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2)) + "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) + "
  fi  
  ((j++))
done
j=8  
echo "MAD H2 v=1 MS-PBEl-rVV10:"
echo "($MAD_PBE )/ $j " | bc -l
echo
echo "MAD H2 v=1 MS-B86bbl-rVV10:"
echo "($MAD_B86b )/ $j " | bc -l
echo 
echo "MAD H2 v=1  MS-RPBEl-rVV10:"
echo "($MAD_RPBE )/ $j " | bc -l
echo 
echo "MAD H2 v=1 MS-B86b:"
echo "($MAD_B86b2 )/ $j " | bc -l
echo
echo "MAD H2 v=1 MS-PBE:"
echo "($MAD_PBE2 )/ $j " | bc -l
#echo "B86b-rVV10 v1 = $MAD_B86b"
echo "------------------------------------------------------------"
echo


MAD_T_PBE+=" + $MAD_PBE"
MAD_T_B86b+=" + $MAD_B86b"
MAD_T_RPBE+=" + $MAD_RPBE"
MAD_T_B86b2+=" + $MAD_B86b2"
MAD_T_PBE2+=" + $MAD_PBE2"

echo "MAD H2 TOT MS-PBEl-rVV10:"
echo "($MAD_T_PBE )/ 18 " | bc -l
echo
echo "MAD H2 TOT MS-B86bbl-rVV10:"
echo "($MAD_T_B86b )/ 18 " | bc -l
echo 
echo "MAD H2 TOT  MS-RPBEl-rVV10:"
echo "($MAD_T_RPBE )/ 18 " | bc -l
echo 
echo "MAD H2 TOT MS-B86bl:"
echo "($MAD_T_B86b2 )/ 18 " | bc -l
echo 
echo "MAD H2 TOT MS-PBE:"
echo "($MAD_T_PBE2 )/ 18 " | bc -l
#echo "B86b-rVV10 tot = $MAD_T_B86b"
echo "------------------------------------------------------------"
echo

  
#D2
MAD_PBE=""
MAD_B86b=""
MAD_RPBE=""
MAD_B86b2=""
MAD_PBE2=""

j=1
for i in {1..12}
do
  exp=`awk 'NR == '$i' {print $2}' exp.D2.v0`
  PBE=`awk 'NR == '$i' {print $2}' MS.PBE-rVV10.D2.v0`
  B86b=`awk 'NR == '$i' {print $2}' MS.B86b-rVV10.D2.v0`
  RPBE=`awk 'NR == '$i' {print $2}' MS.RPBE-rVV10.D2.v0`
  B86b2=`awk 'NR == '$i' {print $2}' MS.B86b.D2.v0`
  PBE2=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.D2.v0`
  if [ "$i" == "12" ]; then
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE))  "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b))  "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE))  "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2))  "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) "
  else
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE)) + "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b)) + "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE)) + "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2)) + "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) + "
  fi
  ((j++))
done

j=12
echo "MAD D2 v=0 MS-PBEl-rVV10:"
echo "($MAD_PBE )/ $j " | bc -l
echo
echo "MAD D2 v=0 MS-B86b-rVV10:"
echo "($MAD_B86b )/ $j " | bc -l
echo 
echo "MAD D2 v=0  MS-RPBEl-rVV10:"
echo "($MAD_RPBE )/ $j " | bc -l
echo 
echo "MAD D2 v=0 MS-B86b:"
echo "($MAD_B86b2 )/ $j " | bc -l
echo
echo "MAD D2 v=0 MS-PBE:"
echo "($MAD_PBE2 )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

MAD_T_PBE="$MAD_PBE"
MAD_T_B86b="$MAD_B86b"
MAD_T_RPBE="$MAD_RPBE"
MAD_T_B86b2="$MAD_B86b2"
MAD_T_PBE2="$MAD_PBE2"

#D2
MAD_PBE=""
MAD_B86b=""
MAD_RPBE=""
MAD_B86b2=""
MAD_PBE2=""

j=1
for i in {1..10}
do
  exp=`awk 'NR == '$i' {print $2}' exp.D2.v1`
  PBE=`awk 'NR == '$i' {print $2}' MS.PBE-rVV10.D2.v1`
  B86b=`awk 'NR == '$i' {print $2}' MS.B86b-rVV10.D2.v1`
  RPBE=`awk 'NR == '$i' {print $2}' MS.RPBE-rVV10.D2.v1`
  B86b2=`awk 'NR == '$i' {print $2}' MS.B86b.D2.v1`
  PBE2=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.D2.v1`
  if [ "$i" == "10" ]; then
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE))  "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b))  "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE))  "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2))  "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) "
  else
    MAD_PBE+=" sqrt( ($exp - $PBE)*($exp - $PBE)) + "
    MAD_B86b+=" sqrt( ($exp - $B86b)*($exp - $B86b)) + "
    MAD_RPBE+=" sqrt( ($exp - $RPBE)*($exp - $RPBE)) + "
    MAD_B86b2+=" sqrt( ($exp - $B86b2)*($exp - $B86b2)) + "
    MAD_PBE2+=" sqrt( ($exp - $PBE2)*($exp - $PBE2)) + "
  fi
  ((j++))
done

j=10
echo "MAD D2 v=1 MS-PBEl-rVV10:"
echo "($MAD_PBE )/ $j " | bc -l
echo
echo "MAD D2 v=1 MS-B86b-rVV10:"
echo "($MAD_B86b )/ $j " | bc -l
echo 
echo "MAD D2 v=1  MS-RPBEl-rVV10:"
echo "($MAD_RPBE )/ $j " | bc -l
echo 
echo "MAD D2 v=0 MS-B86b:"
echo "($MAD_B86b2 )/ $j " | bc -l
echo
echo "MAD D2 v=0 MS-PBE:"
echo "($MAD_PBE2 )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

MAD_T_PBE+=" + $MAD_PBE"
MAD_T_B86b+=" + $MAD_B86b"
MAD_T_RPBE+=" + $MAD_RPBE"
MAD_T_B86b2+=" + $MAD_B86b2"
MAD_T_PBE2+=" + $MAD_PBE2"

echo "MAD D2 TOT MS-PBEl-rVV10:"
echo "($MAD_T_PBE )/ 22 " | bc -l
echo
echo "MAD D2 TOT MS-B86bbl-rVV10:"
echo "($MAD_T_B86b )/ 22 " | bc -l
echo 
echo "MAD D2 TOT  MS-RPBEl-rVV10:"
echo "($MAD_T_RPBE )/ 22 " | bc -l
echo 
echo "MAD D2 TOT MS-B86bl:"
echo "($MAD_T_B86b2 )/ 22 " | bc -l
echo 
echo "MAD D2 TOT MS-PBE:"
echo "($MAD_T_PBE2 )/22 " | bc -l
echo "------------------------------------------------------------"
echo