#!/bin/bash

MSD_B86S=""
MSD_PBEa=""
MSD_MSP=""
MSD_optP=""
MSD_SR48=""
MSD_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 [ "$i" == "10" ]; then
    MSD_B86S+=" ($exp - $B86S)  "
    MSD_PBEa+=" ($exp - $PBEa)  "
    MSD_MSP+="  ($exp - $MSP)  "
    MSD_optP+=" ($exp - $optP)  "
    MSD_SR48+="($exp - $SR48)  "
    MSD_PBE+=" ($exp - $PBE)  "
  else
    MSD_B86S+=" ($exp - $B86S) + "
    MSD_PBEa+=" ($exp - $PBEa) + "
    MSD_MSP+="  ($exp - $MSP) + "
    MSD_optP+=" ($exp - $optP) + "
    MSD_SR48+=" ($exp - $SR48) + "
    MSD_PBE+="  ($exp - $PBE)  + "
  fi
  ((j++))
done
  
echo "MSD H2 v=0 B86SRP68-DF2:"
echo "($MSD_B86S )/ $j " | bc -l
echo
echo "MSD H2 v=0 PBEa57-DF2:"
echo "($MSD_PBEa )/ $j " | bc -l
echo 
echo "MSD H2 v=0  MS-PBEl:"
echo "($MSD_MSP )/ $j " | bc -l
echo 
echo "MSD H2 v=0  optPBE-DF2:"
echo "($MSD_optP )/ $j " | bc -l
echo
echo "MSD H2 v=0  SRP48:"
echo "($MSD_SR48 )/ $j " | bc -l
echo
echo "MSD H2 v=0 PBE:"
echo "($MSD_PBE )/ $j " | bc -l
echo 
echo "------------------------------------------------------------"
echo

MSD_B86S=""
MSD_PBEa=""
MSD_MSP=""
MSD_optP=""
MSD_SR48=""
MSD_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 [ "$i" == "8" ]; then
    MSD_B86S+=" ($exp - $B86S)  "
    MSD_PBEa+=" ($exp - $PBEa)  "
    MSD_MSP+="  ($exp - $MSP)  "
    MSD_optP+=" ($exp - $optP)  "
    MSD_SR48+=" ($exp - $SR48)  "
    MSD_PBE+="  ($exp - $PBE)  "
  else
    MSD_B86S+="  ($exp - $B86S) + "
    MSD_PBEa+="  ($exp - $PBEa) + "
    MSD_MSP+="   ($exp - $MSP) + "
    MSD_optP+="  ($exp - $optP) + "
    MSD_SR48+="  ($exp - $SR48) + "
    MSD_PBE+="   ($exp - $PBE)  + "
  fi
  ((j++))
done
  
echo "MSD H2 v=1 B86SRP68-DF2:"
echo "($MSD_B86S )/ $j " | bc -l
echo
echo "MSD H2 v=1 PBEa57-DF2:"
echo "($MSD_PBEa )/ $j " | bc -l
echo 
echo "MSD H2 v=1  MS-PBEl:"
echo "($MSD_MSP )/ $j " | bc -l
echo 
echo "MSD H2 v=1  optPBE-DF2:"
echo "($MSD_optP )/ $j " | bc -l
echo
echo "MSD H2 v=1  SRP48:"
echo "($MSD_SR48 )/ $j " | bc -l
echo 
echo "MSD H2 v=1  PBE:"
echo "($MSD_PBE )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

  
#D2
MSD_B86S=""
MSD_PBEa=""
MSD_MSP=""
MSD_optP=""
MSD_SR48=""
MSD_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 [ "$i" == "12" ]; then
    MSD_B86S+="  ($exp - $B86S)  "
    MSD_PBEa+="  ($exp - $PBEa)  "
    MSD_MSP+="   ($exp - $MSP)  "
    MSD_optP+="  ($exp - $optP)  "
    MSD_SR48+="  ($exp - $SR48)  "
    MSD_PBE+="   ($exp - $PBE)  "
  else
    MSD_B86S+="  ($exp - $B86S) + "
    MSD_PBEa+="  ($exp - $PBEa) + "
    MSD_MSP+="   ($exp - $MSP) + "
    MSD_optP+="  ($exp - $optP) + "
    MSD_SR48+="  ($exp - $SR48) + "
    MSD_PBE+="   ($exp - $PBE) + "
  fi
  ((j++))
done
  
echo "MSD D2 v=0 B86SRP68-DF2:"
echo "($MSD_B86S )/ $j " | bc -l
echo
echo "MSD D2 v=0 PBEa57-DF2:"
echo "($MSD_PBEa )/ $j " | bc -l
echo 
echo "MSD D2 v=0  MS-PBEl:"
echo "($MSD_MSP )/ $j " | bc -l
echo 
echo "MSD D2 v=0  optPBE-DF2:"
echo "($MSD_optP )/ $j " | bc -l
echo
echo "MSD D2 v=0  SRP48:"
echo "($MSD_SR48 )/ $j " | bc -l
echo 
echo "MSD D2 v=0  PBE:"
echo "($MSD_PBE )/ $j " | bc -l
echo "------------------------------------------------------------"
echo

MSD_B86S=""
MSD_PBEa=""
MSD_MSP=""
MSD_optP=""
MSD_SR48=""
MSD_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 [ "$i" == "10" ]; then
    MSD_B86S+="  ($exp - $B86S)  "
    MSD_PBEa+="  ($exp - $PBEa)  "
    MSD_MSP+="   ($exp - $MSP)  "
    MSD_optP+="  ($exp - $optP)  "
    MSD_SR48+="  ($exp - $SR48)  "
    MSD_PBE+="   ($exp - $PBE)  "
  else
    MSD_B86S+="  ($exp - $B86S) + "
    MSD_PBEa+="  ($exp - $PBEa) + "
    MSD_MSP+="   ($exp - $MSP) + "
    MSD_optP+="  ($exp - $optP) + "
    MSD_SR48+="  ($exp - $SR48) + "
    MSD_PBE+="   ($exp - $PBE) +  "
  fi
  ((j++))
done
  
echo "MSD D2 v=1 B86SRP68-DF2:"
echo "($MSD_B86S )/ $j " | bc -l
echo
echo "MSD D2 v=1 PBEa57-DF2:"
echo "($MSD_PBEa )/ $j " | bc -l
echo 
echo "MSD D2 v=1  MS-PBEl:"
echo "($MSD_MSP )/ $j " | bc -l
echo 
echo "MSD D2 v=1  optPBE-DF2:"
echo "($MSD_optP )/ $j " | bc -l
echo
echo "MSD D2 v=1  SRP48:"
echo "($MSD_SR48 )/ $j " | bc -l
echo 
echo "MSD D2 v=1  PBE:"
echo "($MSD_PBE )/ $j " | bc -l
echo
echo "------------------------------------------------------------"
echo