Gromacs
2024.4
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#include "gmxpre.h"
#include "settle_gpu.h"
#include <cassert>
#include <cmath>
#include <cstdio>
#include <algorithm>
#include "gromacs/gpu_utils/devicebuffer.h"
#include "gromacs/gpu_utils/gputraits.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdlib/constraint_gpu_helpers.h"
#include "gromacs/mdlib/settle_gpu_internal.h"
#include "gromacs/pbcutil/pbc.h"
Implements SETTLE using GPU.
This file contains implementation for the data management of GPU version of SETTLE constraints algorithm.