added check for packages already existing

reference/mehdipour_magdziarz_compare_rydberg.tab

@@ -1,4 +1,3 @@
-#Energy		nFn(mehdipour)	nFn(magdziarz)
 3.04473e-09	0.0000e+00	0.0000e+00
 3.05490e-09	0.0000e+00	0.0000e+00
 3.06510e-09	0.0000e+00	0.0000e+00

scripts/convert/continuum_rydberg_to_eV.sh

@@ -7,16 +7,10 @@
 
 
 
-continuum_file_orig=$1
+while read -r rydbergs sed1 sed2
-continuum_file_new=hnuineV.$continuum_file_orig
+do
-
-
-
-while read photon_energy_in_ryd everything_else; do
     # 1 Ryd = 13.60569253 eV
-    photon_energy_in_eV=`bc <<< "$photon_energy_in_ryd * 13.60569253"
+    eV=$(bc <<< "$rydbergs * 13.60569253")
-    echo $photon_energy_in_eV $everything_else`
+    echo "$eV $sed1 $sed2"
-done < $continuum_file_orig
+done
-
-
 

scripts/operations/package_tables.sh

@@ -12,6 +12,13 @@ base_dir=`pwd`
 bin_dir="$script_dir/../bin"
 
 griddir=$1
+grid_id=$(echo ${griddir}|sed 's@^\.\/\(.*\)@\1@'|sed 's@.grids@@'|sed 's@\/@.@g')
+
+if [[ -e "${grid_id}.tar.gz" ]]; then
+    echo "package exists"
+    exit 5
+fi
+
 cd $griddir
 mkdir -p fortfiles
 cd fortfiles