shellfcelement.cpp File Reference

#include "gmxpre.h"
#include "shellfcelement.h"
#include "gromacs/domdec/mdsetup.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdlib/force.h"
#include "gromacs/mdlib/force_flags.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdrun/shellfc.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/topology/mtop_util.h"
#include "energyelement.h"
#include "freeenergyperturbationelement.h"
#include "statepropagatordata.h"

Include dependency graph for shellfcelement.cpp:

Description

Defines the shell / flex constraints element for the modular simulator.

Author

Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com