* \param[in] dt Timestep.
* \param[in] a_lambdas Temperature scaling factors (one per group).
* \param[in] a_tempScaleGroups Mapping of atoms into groups.
- * \param[in] prVelocityScalingMatrixDiagonal Diagonal elements of Parrinello-Rahman velocity scaling matrix
+ * \param[in] prVelocityScalingMatrixDiagonal Diagonal elements of Parrinello-Rahman velocity scaling matrix.
*/
template<NumTempScaleValues numTempScaleValues, VelocityScalingType velocityScaling>
auto leapFrogKernel(
};
}
+//! \brief Leap Frog SYCL kernel launch code.
template<NumTempScaleValues numTempScaleValues, VelocityScalingType velocityScaling, class... Args>
static cl::sycl::event launchLeapFrogKernel(const DeviceStream& deviceStream, int numAtoms, Args&&... args)
{
return e;
}
+//! Convert \p doTemperatureScaling and \p numTempScaleValues to \ref NumTempScaleValues.
static NumTempScaleValues getTempScalingType(bool doTemperatureScaling, int numTempScaleValues)
{
if (!doTemperatureScaling)