bug fix TestReferenceVdwForce

5dd5e142 · Chengwen Liu · c701af73 · 5dd5e142
Commit 5dd5e142 authored Sep 10, 2019 by Chengwen Liu
Hide whitespace changes
Inline Side-by-side

Showing with 7 additions and 0 deletions

plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp ...platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp +7 -0

No files found.
--- a/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp
+++ b/plugins/amoeba/platforms/reference/tests/TestReferenceAmoebaVdwForce.cpp
@@ -440,6 +440,13 @@ void testVdwAmmoniaCubicMeanWH() {
 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;
+    std::vector<Vec3> forces;
+    double energy;
+
    setupAndGetForcesEnergyVdwAmmonia2("CUBIC-MEAN", "HHG", cutoff, boxDimension, forces, energy,
                                      method, power, alpha, lambda);
    std::vector<Vec3> expectedForces(numberOfParticles);