makeconstraints.h File Reference

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

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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

Classes
struct	gmx::Constraints::CreationHelper
	Support type to help implement makeConstraints(). More...

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