#!/bin/bash

MSD_PBE=""
MSD_B86b=""
MSD_RPBE=""
MSD_B86b2=""

#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 $2}' MS.B86b.H2.v0`
  if [ "$i" == "10" ]; then
    MSD_PBE+=" ($exp - $PBE)  "
    MSD_B86b+=" ($exp - $B86b)  "
    MSD_RPBE+="  ($exp - $RPBE)  "
    MSD_B86b2+=" ($exp - $B86b2)  "
  else
    MSD_PBE+=" ($exp - $PBE) + "
    MSD_B86b+=" ($exp - $B86b) + "
    MSD_B86b2+=" ($exp - $B86b2) + "
    MSD_RPBE+="  ($exp - $RPBE) + "
  fi
  ((j++))
done

j=10
echo "MSD H2 v=0 MS-PBEl-rVV10:"
echo "($MSD_PBE )/ $j " | bc -l
echo
echo "MSD H2 v=0 MS-B86bl-rVV10:"
echo "($MSD_B86b )/ $j " | bc -l
echo 
echo "MSD H2 v=0  MS-RPBEl-rVV10:"
echo "($MSD_RPBE )/ $j " | bc -l
echo 
echo "MSD H2 v=0 MS-B86bl:"
echo "($MSD_B86b2 )/ $j " | bc -l
echo
echo "---------------------------------"
echo

MSD_T_PBE="$MSD_PBE"
MSD_T_B86b="$MSD_B86b"
MSD_T_RPBE="$MSD_RPBE"
MSD_T_B86b2="$MSD_B86b2"

MSD_PBE=""
MSD_B86b=""
MSD_RPBE=""
MSD_B86b2=""

#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 $2}' MS.B86b.H2.v1`
  if [ "$i" == "8" ]; then
    MSD_PBE+=" ($exp - $PBE)  "
    MSD_B86b+=" ($exp - $B86b)  "
    MSD_RPBE+="  ($exp - $RPBE)  "
    MSD_B86b2+=" ($exp - $B86b2)  "
  else
    MSD_PBE+=" ($exp - $PBE) + "
    MSD_B86b+=" ($exp - $B86b) + "
    MSD_RPBE+="  ($exp - $RPBE) + "
    MSD_B86b2+=" ($exp - $B86b2) + "
  fi  
  ((j++))
done

j=8  
echo "MSD H2 v=1 MS-PBEl-rVV10:"
echo "($MSD_PBE )/ $j " | bc -l
echo
echo "MSD H2 v=1 MS-B86bl-rVV10:"
echo "($MSD_B86b )/ $j " | bc -l
echo 
echo "MSD H2 v=1  MS-RPBEl-rVV10:"
echo "($MSD_RPBE )/ $j " | bc -l
echo 
echo "MSD H2 v=1 MS-B86bl:"
echo "($MSD_B86b2 )/ $j " | bc -l
echo
echo "--------------------------------------------------------"
echo

MSD_T_PBE+=" + $MSD_PBE"
MSD_T_B86b+=" + $MSD_B86b"
MSD_T_RPBE+=" + $MSD_RPBE"
MSD_T_B86b2+=" + $MSD_B86b2"

echo "MSD H2 TOT MS-PBEl-rVV10:"
echo "($MSD_T_PBE )/ 18 " | bc -l
echo
echo "MSD H2 TOT MS-B86bl-rVV10:"
echo "($MSD_T_B86b )/ 18 " | bc -l
echo 
echo "MSD H2 TOT  MS-RPBEl-rVV10:"
echo "($MSD_T_RPBE )/ 18 " | bc -l
echo 
echo "MSD H2 TOT MS-B86bl:"
echo "($MSD_T_B86b2 )/ 18 " | bc -l
echo
echo "--------------------------------------"
echo
echo
echo
  
#D2
MSD_PBE=""
MSD_B86b=""
MSD_RPBE=""
MSD_B86b2=""

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 $2}' MS.B86b.D2.v0`
  if [ "$i" == "12" ]; then
    MSD_PBE+=" ($exp - $PBE)  "
    MSD_B86b+=" ($exp - $B86b)  "
    MSD_RPBE+="  ($exp - $RPBE)  "
    MSD_B86b2+=" ($exp - $B86b2)  "
  else
    MSD_PBE+=" ($exp - $PBE) + "
    MSD_B86b+=" ($exp - $B86b) + "
    MSD_RPBE+="  ($exp - $RPBE) + "
    MSD_B86b2+=" ($exp - $B86b2) + "
  fi
  ((j++))
done

j=12
echo "MSD D2 v=0 MS-PBEl-rVV10:"
echo "($MSD_PBE )/ $j " | bc -l
echo
echo "MSD D2 v=0 MS-B86bl-rVV10:"
echo "($MSD_B86b )/ $j " | bc -l
echo 
echo "MSD D2 v=0  MS-RPBEl-rVV10:"
echo "($MSD_RPBE )/ $j " | bc -l
echo 
echo "MSD D2 v=0 MS-B86bl:"
echo "($MSD_B86b2 )/ $j " | bc -l
echo 
echo "-----------------------------------------------"
echo

MSD_T_PBE="$MSD_PBE"
MSD_T_B86b="$MSD_B86b"
MSD_T_RPBE="$MSD_RPBE"
MSD_T_B86b2="$MSD_B86b2"

MSD_PBE=""
MSD_B86b=""
MSD_RPBE=""
MSD_B86b2=""

#H2
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`

  if [ "$i" == "10" ]; then
    MSD_PBE+=" ($exp - $PBE)  "
    MSD_B86b+=" ($exp - $B86b)  "
    MSD_RPBE+="  ($exp - $RPBE)  "
    MSD_B86b2+=" ($exp - $B86b2)  "
  else
    MSD_PBE+=" ($exp - $PBE) + "
    MSD_B86b+=" ($exp - $B86b) + "
    MSD_RPBE+="  ($exp - $RPBE) + "
    MSD_B86b2+=" ($exp - $B86b2) + "
  fi
  ((j++))
done

j=10
echo "MSD D2 v=1 MS-PBEl-rVV10:"
echo "($MSD_PBE )/ $j " | bc -l
echo
echo "MSD D2 v=1 MS-B86bl-rVV10:"
echo "($MSD_B86b )/ $j " | bc -l
echo 
echo "MSD D2 v=1  MS-RPBEl-rVV10:"
echo "($MSD_RPBE )/ $j " | bc -l
echo 
echo "MSD D2 v=1 MS-B86bl:"
echo "($MSD_B86b2 )/ $j " | bc -l
echo 
echo "---------------------------------------------------------"
echo

MSD_T_PBE+=" + $MSD_PBE"
MSD_T_B86b+=" + $MSD_B86b"
MSD_T_RPBE+=" + $MSD_RPBE"
MSD_T_B86b2+=" + $MSD_B86b2"

echo "MSD D2 TOT MS-PBEl-rVV10:"
echo "($MSD_T_PBE )/ 22 " | bc -l
echo
echo "MSD D2 TOT MS-B86bl-rVV10:"
echo "($MSD_T_B86b )/ 22 " | bc -l
echo 
echo "MSD D2 TOT  MS-RPBEl-rVV10:"
echo "($MSD_T_RPBE )/ 22 " | bc -l
echo 
echo "MSD D2 TOT MS-B86bl:"
echo "($MSD_T_B86b2 )/ 22 " | bc -l
echo