lincs_gpu.cpp File Reference

#include "gmxpre.h"
#include "lincs_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/constr.h"
#include "gromacs/mdlib/constraint_gpu_helpers.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdlib/lincs_gpu_internal.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/utility/listoflists.h"

Include dependency graph for lincs_gpu.cpp:

Description

Implementations of LINCS GPU class.

This file contains back-end agnostic implementation of LINCS GPU class.

Author

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

Alan Gray alang.nosp@m.@nvi.nosp@m.dia.c.nosp@m.om

Functions
void	gmx::addWithCoupled (ArrayRef< const int > iatoms, const int stride, const gmx::ListOfLists< AtomsAdjacencyListElement > &atomsAdjacencyList, ArrayRef< int > splitMap, const int c, int *currentMapIndex)
	Add constraint to splitMap with all constraints coupled to it. More...