Include missing factor of 138.93548 (1/4*pi*epsilon0) in nonpolar energy expression:

Include missing factor of 138.93548 (1/4piepsilon0) in nonpolar energy expression:
1ae5a332 · Mark Friedrichs · 0094d14b · 1ae5a332
Commit 1ae5a332 authored May 05, 2010 by Mark Friedrichs
Show whitespace changes
Inline Side-by-side

Showing with 1 addition and 1 deletion

platforms/cuda/tests/TestCudaGBVIForce.cpp platforms/cuda/tests/TestCudaGBVIForce.cpp +1 -1

No files found.
--- a/platforms/cuda/tests/TestCudaGBVIForce.cpp
+++ b/platforms/cuda/tests/TestCudaGBVIForce.cpp
@@ -84,7 +84,7 @@ void testSingleParticle() {
    double tau            = (1.0/forceField->getSoluteDielectric()-1.0/forceField->getSolventDielectric());

    double bornEnergy     = (-charge*charge/(8*PI_M*eps0))*tau/bornRadius;
-    double nonpolarEnergy = -gamma*tau*std::pow( radius/bornRadius, 3.0);
+    double nonpolarEnergy = -gamma*tau*138.935485*std::pow( radius/bornRadius, 3.0);

    double expectedE      = (bornEnergy+nonpolarEnergy); 
    double obtainedE      = state.getPotentialEnergy();