Test interaction calculations using 1 and 2 vectors.

tests/testInteractions.sh.in

@@ -2,7 +2,7 @@
 
 echo ""
 
-rm -f test_nonsym_density_serial.dat test_nonsym_density_vec.dat
+rm -f test_nonsym_density_serial.dat test_nonsym_density_vec.dat test_nonsym_force_serial.dat test_nonsym_force_vec.dat
 
 echo "Running ./testInteractions"
 
@@ -13,15 +13,42 @@ if [ $? != 0 ]; then
 else
   if [ -e test_nonsym_density_serial.dat ]
   then
-    if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_vec.dat @srcdir@/tolerance_testInteractions.dat
+    if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_1_vec.dat @srcdir@/tolerance_testInteractions.dat
     then
-      echo "Accuracy test passed"
+      echo "Calculating density using 1 vector accuracy test passed"
     else
-      echo "Accuracy test failed"
+      echo "Calculating density using 1 vector accuracy test failed"
+      exit 1
+    fi
+    if python @srcdir@/difffloat.py test_nonsym_density_serial.dat test_nonsym_density_2_vec.dat @srcdir@/tolerance_testInteractions.dat
+    then
+      echo "Calculating density using 2 vectors accuracy test passed"
+    else
+      echo "Calculating density using 2 vectors accuracy test failed"
+      exit 1
+    fi
+  else
+    echo "Error Missing density test output file"
+    exit 1
+  fi
+  if [ -e test_nonsym_force_serial.dat ]
+  then
+    if python @srcdir@/difffloat.py test_nonsym_force_serial.dat test_nonsym_force_1_vec.dat @srcdir@/tolerance_testInteractions.dat
+    then
+      echo "Calculating force using 1 vector accuracy test passed"
+    else
+      echo "Calculating force using 1 vector accuracy test failed"
+      exit 1
+    fi
+    if python @srcdir@/difffloat.py test_nonsym_force_serial.dat test_nonsym_force_2_vec.dat @srcdir@/tolerance_testInteractions.dat
+    then
+      echo "Calculating force using 2 vectors accuracy test passed"
+    else
+      echo "Calculating force using 2 vectors accuracy test failed"
       exit 1
     fi
   else
-    echo "Error Missing test output file"
+    echo "Error Missing force test output file"
     exit 1
   fi
 fi