Gromacs
2025-dev-20240501-73e2eaf
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#include <vector>
#include "gromacs/mdlib/update.h"
#include "gromacs/mdtypes/fcdata.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/state.h"
Tests for the Langevin integrator.
Add PBC handling test.
Reference values tests.