makeconstraints.h File Reference

#include <memory>
#include "gromacs/compat/make_unique.h"
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/pulling/pull.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_util.h"

Include dependency graph for makeconstraints.h:

Description

Declares and implements factory function for Constraints.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions
template<typename... Args>
std::unique_ptr< Constraints >	gmx::makeConstraints (const gmx_mtop_t &mtop, const t_inputrec &ir, bool doEssentialDynamics, Args &&...args)
	Factory function for Constraints. More...