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constrtestdata.h File Reference
#include <memory>
#include <vector>
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/hardware/device_management.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdlib/lincs.h"
#include "gromacs/mdlib/shake.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/topology.h"
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Description

SHAKE and LINCS tests header.

Contains description and constructor for the test data accumulating object, declares CPU- and GPU-based functions used to apply SHAKE or LINCS on the test data.

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