// 1/2 dt between checkpoint (top of the loop) and trajectory (full time step state)
trajectoryMatchSettings.velocitiesComparison = ComparisonConditions::NoComparison;
}
- const TrajectoryTolerances trajectoryTolerances{ defaultRealTolerance(), defaultRealTolerance(),
- defaultRealTolerance(), defaultRealTolerance() };
+ const TrajectoryTolerances trajectoryTolerances{
+ defaultRealTolerance(), defaultRealTolerance(), defaultRealTolerance(), defaultRealTolerance()
+ };
const auto mdpFieldValues =
prepareMdpFieldValues(simulationName, integrator, temperatureCoupling, pressureCoupling);
SCOPED_TRACE(formatString(
"Checking the sanity of the checkpointed coordinates using system '%s' "
"with integrator '%s', '%s' temperature coupling, and '%s' pressure coupling ",
- simulationName.c_str(), integrator.c_str(), temperatureCoupling.c_str(),
+ simulationName.c_str(),
+ integrator.c_str(),
+ temperatureCoupling.c_str(),
pressureCoupling.c_str()));
SCOPED_TRACE("End of trajectory sanity");