<< formatString(
"Coordinate {} of atom {} is different from analytical solution "
"at step {}.",
- d, i, step);
+ d,
+ i,
+ step);
EXPECT_REAL_EQ_TOL(vAnalytical[d], simulationState.velocities()[i][d], tolerance)
<< formatString(
"Velocity component {} of atom {} is different from analytical "
"solution at step {}.",
- d, i, step);
+ d,
+ i,
+ step);
}
- integrator.integrate(dt, simulationState.coordinates(), simulationState.velocities(),
+ integrator.integrate(dt,
+ simulationState.coordinates(),
+ simulationState.velocities(),
simulationState.forces());
}
}