#!/bin/bash

MAD_B86S=""
MAD_PBEa=""
MAD_MSP=""
MAD_optP=""
MAD_SR48=""
MAD_PBE=""

#H2
j=1
for i in {1..10}
do
  exp=`awk 'NR == '$i' {print $2}' exp.H2.v0`
  B86S=`awk 'NR == '$i' {print $2}' B86SRP68-DF2.Aprime.H2.v0`
  PBEa=`awk 'NR == '$i' {print $2}' PBEa57-DF2.Aprime.H2.v0`
  MSP=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.H2.v0`
  optP=`awk 'NR == '$i' {print $2}' optPBE-DF2.Aprime.H2.v0`
  SR48=`awk 'NR == '$i' {print $2}' SRP48.Aprime.H2.v0`
  PBE=`awk 'NR == '$i' {print $2}' PBE.Aprime.H2.v0`
  
  if [ "$i" == "10" ]; then
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S))  "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa))  "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP))  "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP))  "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48))  "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  "
  else
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S)) + "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa)) + "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP)) + "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP)) + "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48)) + "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  + "
  fi
  ((j++))
done
  
echo "MAD H2 v=0 B86SRP68-DF2:"
echo "($MAD_B86S )/ $j " | bc -l
echo
echo "MAD H2 v=0 PBEa57-DF2:"
echo "($MAD_PBEa )/ $j " | bc -l
echo 
echo "MAD H2 v=0  MS-PBEl:"
echo "($MAD_MSP )/ $j " | bc -l
echo 
echo "MAD H2 v=0  optPBE-DF2:"
echo "($MAD_optP )/ $j " | bc -l
echo
echo "MAD H2 v=0  SRP48:"
echo "($MAD_SR48 )/ $j " | bc -l
echo
echo "MAD H2 v=0 PBE:"
echo "($MAD_PBE )/ $j " | bc -l
echo 
echo "------------------------------------------------------------"
echo

MAD_B86S=""
MAD_PBEa=""
MAD_MSP=""
MAD_optP=""
MAD_SR48=""
MAD_PBE=""
j=1
for i in {1..8}
do
  exp=`awk 'NR == '$i' {print $2}' exp.H2.v1`
  B86S=`awk 'NR == '$i' {print $2}' B86SRP68-DF2.Aprime.H2.v1`
  PBEa=`awk 'NR == '$i' {print $2}' PBEa57-DF2.Aprime.H2.v1`
  MSP=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.H2.v1`
  optP=`awk 'NR == '$i' {print $2}' optPBE-DF2.Aprime.H2.v1`
  SR48=`awk 'NR == '$i' {print $2}' SRP48.Aprime.H2.v1`
  PBE=`awk 'NR == '$i' {print $2}' PBE.Aprime.H2.v1`

  if [ "$i" == "8" ]; then
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S))  "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa))  "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP))  "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP))  "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48))  "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  "
  else
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S)) + "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa)) + "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP)) + "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP)) + "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48)) + "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  + "
  fi
  ((j++))
done
  
echo "MAD H2 v=1 B86SRP68-DF2:"
echo "($MAD_B86S )/ $j " | bc -l
echo
echo "MAD H2 v=1 PBEa57-DF2:"
echo "($MAD_PBEa )/ $j " | bc -l
echo 
echo "MAD H2 v=1  MS-PBEl:"
echo "($MAD_MSP )/ $j " | bc -l
echo 
echo "MAD H2 v=1  optPBE-DF2:"
echo "($MAD_optP )/ $j " | bc -l
echo
echo "MAD H2 v=1  SRP48:"
echo "($MAD_SR48 )/ $j " | bc -l
echo 
echo "MAD H2 v=1  PBE:"
echo "($MAD_PBE )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

  
#D2
MAD_B86S=""
MAD_PBEa=""
MAD_MSP=""
MAD_optP=""
MAD_SR48=""
MAD_PBE=""
j=1
for i in {1..12}
do
  exp=`awk 'NR == '$i' {print $2}' exp.D2.v0`
  B86S=`awk 'NR == '$i' {print $2}' B86SRP68-DF2.Aprime.D2.v0`
  PBEa=`awk 'NR == '$i' {print $2}' PBEa57-DF2.Aprime.D2.v0`
  MSP=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.D2.v0`
  optP=`awk 'NR == '$i' {print $2}' optPBE-DF2.Aprime.D2.v0`
  SR48=`awk 'NR == '$i' {print $2}' SRP48.Aprime.D2.v0`
  PBE=`awk 'NR == '$i' {print $2}' PBE.Aprime.D2.v0`

  if [ "$i" == "12" ]; then
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S))  "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa))  "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP))  "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP))  "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48))  "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  "
  else
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S)) + "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa)) + "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP)) + "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP)) + "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48)) + "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE)) + "
  fi
  ((j++))
done
  
echo "MAD D2 v=0 B86SRP68-DF2:"
echo "($MAD_B86S )/ $j " | bc -l
echo
echo "MAD D2 v=0 PBEa57-DF2:"
echo "($MAD_PBEa )/ $j " | bc -l
echo 
echo "MAD D2 v=0  MS-PBEl:"
echo "($MAD_MSP )/ $j " | bc -l
echo 
echo "MAD D2 v=0  optPBE-DF2:"
echo "($MAD_optP )/ $j " | bc -l
echo
echo "MAD D2 v=0  SRP48:"
echo "($MAD_SR48 )/ $j " | bc -l
echo 
echo "MAD D2 v=0  PBE:"
echo "($MAD_PBE )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

MAD_B86S=""
MAD_PBEa=""
MAD_MSP=""
MAD_optP=""
MAD_SR48=""
MAD_PBE=""
j=1
for i in {1..10}
do
  exp=`awk 'NR == '$i' {print $2}' exp.D2.v1`
  B86S=`awk 'NR == '$i' {print $2}' B86SRP68-DF2.Aprime.D2.v1`
  PBEa=`awk 'NR == '$i' {print $2}' PBEa57-DF2.Aprime.D2.v1`
  MSP=`awk 'NR == '$i' {print $2}' MS.PBE.Aprime.D2.v1`
  optP=`awk 'NR == '$i' {print $2}' optPBE-DF2.Aprime.D2.v1`
  SR48=`awk 'NR == '$i' {print $2}' SRP48.Aprime.D2.v1`
  PBE=`awk 'NR == '$i' {print $2}' PBE.Aprime.D2.v1`

  if [ "$i" == "10" ]; then
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S))  "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa))  "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP))  "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP))  "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48))  "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE))  "
  else
    MAD_B86S+=" sqrt( ($exp - $B86S)*($exp - $B86S)) + "
    MAD_PBEa+=" sqrt( ($exp - $PBEa)*($exp - $PBEa)) + "
    MAD_MSP+=" sqrt( ($exp - $MSP)*($exp - $MSP)) + "
    MAD_optP+="sqrt( ($exp - $optP)*($exp - $optP)) + "
    MAD_SR48+="sqrt( ($exp - $SR48)*($exp - $SR48)) + "
    MAD_PBE+="sqrt( ($exp - $PBE)*($exp - $PBE)) +  "
  fi
  ((j++))
done
  
echo "MAD D2 v=1 B86SRP68-DF2:"
echo "($MAD_B86S )/ $j " | bc -l
echo
echo "MAD D2 v=1 PBEa57-DF2:"
echo "($MAD_PBEa )/ $j " | bc -l
echo 
echo "MAD D2 v=1  MS-PBEl:"
echo "($MAD_MSP )/ $j " | bc -l
echo 
echo "MAD D2 v=1  optPBE-DF2:"
echo "($MAD_optP )/ $j " | bc -l
echo
echo "MAD D2 v=1  SRP48:"
echo "($MAD_SR48 )/ $j " | bc -l
echo 
echo "MAD D2 v=1  PBE:"
echo "($MAD_PBE )/ $j " | bc -l
echo
echo "------------------------------------------------------------"
echo