langevintestrunners.cpp File Reference

#include "gmxpre.h"
#include "langevintestrunners.h"
#include <array>
#include <memory>
#include <utility>
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/matrix.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/mdlib/gmx_omp_nthreads.h"
#include "gromacs/mdlib/update.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/vectypes.h"
#include "langevintestdata.h"

Include dependency graph for langevintestrunners.cpp:

Description

Runner for CPU-based implementation of the Langevin integrator.

Author

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

Magnus Lundborg magnu.nosp@m.s.lu.nosp@m.ndbor.nosp@m.g@sc.nosp@m.ilife.nosp@m.lab..nosp@m.se