Update README.md, examples/h2/eneden/eneden.sh,...

Update README.md, examples/h2/eneden/eneden.sh, examples/ch4_50_011/eneden/eneden.sh, examples/ch4_200_031/eneden/eneden.sh files

README.md

@@ -166,3 +166,11 @@ MP4(SDTQ): -0.034205101033
 ~0.1 mH deviation.
 
 
+## Scripts
+```bash
+
+```
+
+
+
+

examples/ch4_200_031/eneden/eneden.sh

@@ -16,7 +16,7 @@ python $codes/int2el_mp4-pytorch.cpu-j.mat.py $data/$x.scf.h5 $data/FCIDUMP_int2
 # generate energy density for C and H
 for n in 2 3 4
 do
-  echo "Calculated MP$n (summing up of energy density for checking):"
+  echo "Calculated PT$n (summing up of energy density for checking):"
   python $codes/Ajb_mpn.pytorch.py $data/$x.scf.h5 mp${n}_amp.npy Ajb_200_031.C.npy $data/$x.npz 0,70000 200_031.C.mp${n}.npy
   python $codes/Ajb_mpn.pytorch.py $data/$x.scf.h5 mp${n}_amp.npy Ajb_200_031.H.npy $data/$x.npz 70000,140000 200_031.H.mp${n}.npy
 done

examples/ch4_50_011/eneden/eneden.sh

@@ -16,7 +16,7 @@ python $codes/int2el_mp4-pytorch.cpu-j.mat.py $data/$x.scf.h5 $data/FCIDUMP_int2
 # generate energy density for C and H
 for n in 2 3 4
 do
-  echo "Calculated MP$n:"
+  echo "Calculated PT$n:"
   python $codes/Ajb_mpn.pytorch.py $data/$x.scf.h5 mp${n}_amp.npy Ajb_50_011.C.npy $data/$x.npz 0,2500 50_011.C.mp${n}.npy
   python $codes/Ajb_mpn.pytorch.py $data/$x.scf.h5 mp${n}_amp.npy Ajb_50_011.H.npy $data/$x.npz 2500,5000 50_011.H.mp${n}.npy
 done

examples/h2/eneden/eneden.sh

@@ -15,6 +15,6 @@ python $codes/int2el_mp4-pytorch.cpu-j.mat.py $data/$x.scf.h5 $data/FCIDUMP_int2
 # generate energy density for H
 for n in 2 3 4
 do
-  echo "Calculated MP$n:"
+  echo "Calculated PT$n:"
   python $codes/Ajb_mpn.pytorch.py $data/$x.scf.h5 mp${n}_amp.npy Ajb_200_031.H.npy $data/$x.npz 0,70000 200_031.H.mp${n}.npy
 done