#include "gmxpre.h"
#include "leapfrog_gpu.h"
#include <cassert>
#include <cmath>
#include <cstdio>
#include <algorithm>
#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/leapfrog_gpu_internal.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/utility/arrayref.h"

Include dependency graph for leapfrog_gpu.cpp:

Description

Implements Leap-Frog using CUDA.

This file contains backend-agnostic code for Leap-Frog integrator class on GPU, including class initialization, and data-structures management.

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