Updated TestReferenceAmoebaVdwForce.cpp

plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp

@@ -411,13 +411,6 @@ void testVdwAmmoniaCubicMeanWH() {
 
     std::string testName      = "testVdwAmmoniaCubicMeanWH";
 
-// test alchemical VDW 
-
-void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::AlchemicalMethod method) {
-
-    std::string testName      = "testVdwAlchemical";
-
-
     int numberOfParticles     = 8;
     double boxDimension       = -1.0;
     double cutoff             = 9000000.0;
@@ -437,7 +430,16 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
     expectedForces[5]         = Vec3( 1.4153288e+00,  -2.7130186e-01,  -1.5480591e-01);
     expectedForces[6]         = Vec3(-1.8544507e+02,   8.4027272e-03,   6.0950274e+00);
     expectedForces[7]         = Vec3( 1.4159723e+00,   2.7168386e-01,  -1.5376786e-01);
+    double tolerance          = 1.0e-04;
+    compareForcesEnergy(testName, expectedEnergy, energy, expectedForces, forces, tolerance);
+}
 
+
+// test alchemical VDW 
+
+void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::AlchemicalMethod method) {
+
+    std::string testName      = "testVdwAlchemical";
     setupAndGetForcesEnergyVdwAmmonia2("CUBIC-MEAN", "HHG", cutoff, boxDimension, forces, energy,
                                       method, power, alpha, lambda);
     std::vector<Vec3> expectedForces(numberOfParticles);
@@ -457,10 +459,6 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
     for (int i=0; i<8; i++) {
         expectedForces[i] *= scale;
     }
-
-
-    double tolerance          = 1.0e-04;
-    compareForcesEnergy(testName, expectedEnergy, energy, expectedForces, forces, tolerance);
 }
 
 // test VDW w/ sigmaRule=Arithmetic and epsilonRule=Arithmetic