Skip to content

GitLab

Commit 0ea02ab9 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed failing test cases

parent aefe9a9f
Hide whitespace changes
Inline Side-by-side
Showing with 4 additions and 4 deletions
platforms/cuda/tests/TestCudaGBSAOBCForce.cpp
View file @ 0ea02ab9
...@@ -207,7 +207,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC ...@@ -207,7 +207,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
if (method == NonbondedForce::NoCutoff) if (method == NonbondedForce::NoCutoff)
{ {
const double delta = 1e-2; const double delta = 0.1;
double step = 0.5*delta/norm; double step = 0.5*delta/norm;
vector<Vec3> positions2(numParticles), positions3(numParticles); vector<Vec3> positions2(numParticles), positions3(numParticles);
for (int i = 0; i < numParticles; ++i) { for (int i = 0; i < numParticles; ++i) {
...@@ -220,7 +220,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC ...@@ -220,7 +220,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
State state2 = context.getState(State::Energy); State state2 = context.getState(State::Energy);
context.setPositions(positions3); context.setPositions(positions3);
State state3 = context.getState(State::Energy); State state3 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-3) ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-2)
} }
} }
......
platforms/opencl/tests/TestOpenCLGBSAOBCForce.cpp
View file @ 0ea02ab9
...@@ -207,7 +207,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC ...@@ -207,7 +207,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
if (method == NonbondedForce::NoCutoff) if (method == NonbondedForce::NoCutoff)
{ {
const double delta = 1e-2; const double delta = 0.1;
double step = 0.5*delta/norm; double step = 0.5*delta/norm;
vector<Vec3> positions2(numParticles), positions3(numParticles); vector<Vec3> positions2(numParticles), positions3(numParticles);
for (int i = 0; i < numParticles; ++i) { for (int i = 0; i < numParticles; ++i) {
...@@ -220,7 +220,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC ...@@ -220,7 +220,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
State state2 = context.getState(State::Energy); State state2 = context.getState(State::Energy);
context.setPositions(positions3); context.setPositions(positions3);
State state3 = context.getState(State::Energy); State state3 = context.getState(State::Energy);
ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-3) ASSERT_EQUAL_TOL(norm, (state2.getPotentialEnergy()-state3.getPotentialEnergy())/delta, 1e-2)
} }
} }
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment