minor changes b3e3

Author: bmourino

c_programs/block3/3-ParallelTempering/Run/plot.ipynb

@@ -13,17 +13,31 @@ mkdir -p swp_diff_est
 
 for ntemp in 1 2 3 4; do 
     i=1
+    # check if ntemp is 1, 2, 3 or 4
+    if [ $ntemp -eq 1 ];
+    then
+        temps="0.001"
+    elif [ $ntemp -eq 2 ];
+    then
+        temps="0.001 0.05"
+    elif [ $ntemp -eq 3 ];
+    then
+        temps="0.001 0.015 0.05"
+    elif [ $ntemp -eq 4 ];
+    then
+        temps="0.001 0.003 0.015 0.05"
+    fi
     while [ $i -le 1 ]; do
         echo "Running for Nsystems $ntemp, run $i"
         cat > input <<EOF
 Rho  Ppt   Nstep   Ntemp
 $rho $ppt  $nstep  $ntemp
 Temperatures
-0.001 0.003 0.015 0.05
+$temps
 EOF
         ../Source/pt >> "output_${ntemp}_${i}.txt"
         xpos=$(grep -i -A1 "Average X" "output_${ntemp}_${i}.txt" | grep -Eo "[0-9]+\.[0-9]+")
-        mv "output_${ntemp}_${i}.txt" diff_est/
+        mv "output_${ntemp}_${i}.txt" swp_diff_est/
         mv energy_distribution.dat "swp_diff_est/energy_distribution_${ntemp}_${i}.dat"
         mv input "swp_diff_est/input_${ntemp}_${i}"
         mv position_distribution.dat "swp_diff_est/position_distribution_${ntemp}_${i}.dat"