Gromacs  2023.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Functions
leapfrog_gpu_internal.h File Reference
#include "gromacs/gpu_utils/devicebuffer_datatype.h"
#include "gromacs/mdlib/leapfrog_gpu.h"
+ Include dependency graph for leapfrog_gpu_internal.h:

Description

Declarations for backend specific GPU functions for Leap-Frog.

Author
Artem Zhmurov zhmur.nosp@m.ov@g.nosp@m.mail..nosp@m.com

Functions

void gmx::launchLeapFrogKernel (int numAtoms, DeviceBuffer< Float3 > d_x, DeviceBuffer< Float3 > d_xp, DeviceBuffer< Float3 > d_v, DeviceBuffer< Float3 > d_f, DeviceBuffer< float > d_inverseMasses, float dt, bool doTemperatureScaling, int numTempScaleValues, DeviceBuffer< unsigned short > d_tempScaleGroups, DeviceBuffer< float > d_lambdas, ParrinelloRahmanVelocityScaling parrinelloRahmanVelocityScaling, Float3 prVelocityScalingMatrixDiagonal, const DeviceStream &deviceStream)
 Backend-specific function to launch GPU Leap Frog kernel. More...