"groups and "
"%s pressure coupling (dt = %f, v0=(%f, %f, %f), f0=(%f, %f, %f), nstpcouple = "
"%d)",
- runner->hardwareDescription().c_str(), parameters.numAtoms, parameters.numSteps,
- parameters.numTCoupleGroups, parameters.nstpcouple == 0 ? "without" : "with",
- parameters.timestep, parameters.v[XX], parameters.v[YY], parameters.v[ZZ],
- parameters.f[XX], parameters.f[YY], parameters.f[ZZ], parameters.nstpcouple);
+ runner->hardwareDescription().c_str(),
+ parameters.numAtoms,
+ parameters.numSteps,
+ parameters.numTCoupleGroups,
+ parameters.nstpcouple == 0 ? "without" : "with",
+ parameters.timestep,
+ parameters.v[XX],
+ parameters.v[YY],
+ parameters.v[ZZ],
+ parameters.f[XX],
+ parameters.f[YY],
+ parameters.f[ZZ],
+ parameters.nstpcouple);
SCOPED_TRACE(testDescription);
- std::unique_ptr<LeapFrogTestData> testData = std::make_unique<LeapFrogTestData>(
- parameters.numAtoms, parameters.timestep, parameters.v, parameters.f,
- parameters.numTCoupleGroups, parameters.nstpcouple);
+ std::unique_ptr<LeapFrogTestData> testData =
+ std::make_unique<LeapFrogTestData>(parameters.numAtoms,
+ parameters.timestep,
+ parameters.v,
+ parameters.f,
+ parameters.numTCoupleGroups,
+ parameters.nstpcouple);
runner->integrate(testData.get(), parameters.numSteps);