Merge pull request #355 from ahzeeshan/scdm_auto_example

simplified projectability vs e table

examples/example32/generate_weights.sh

@@ -12,18 +12,11 @@ rm -f p_vs_e.dat
 # Check proj.out exists
 [[ -f "proj.out" ]] || { echo "proj.out not found!"; echo "Aborting!"; exit 1; }
 
-# Start loop over bands
-for i in {1..21}; do
-        echo $i 
-	if [ $i -lt 10 ]; then 
-           line=`echo "e(   $i)"`;
-        else
-           line=`echo "e(  $i)"`;
-	fi;
-	grep "$line" proj.out | awk '{print $5}' >> e.dat; 
-        grep -A4 "$line" proj.out | grep "|psi|^2" | awk '{print $3}' >> p.dat; 
-	paste e.dat p.dat >> tmp.dat;
-done
+# Get energies and projectability in the correct order
+cat proj.out |grep '=='|awk '{print $5}' > e.dat
+cat proj.out |grep '|psi|^2'|awk '{print $3}' > p.dat
+paste e.dat p.dat > tmp.dat
+
 sort -k1n tmp.dat > p_vs_e.dat 
 
 # Clean workspace