Gromacs
2024.3
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#include <memory>
#include "gromacs/mdlib/constr.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_util.h"
Declares and implements factory function for Constraints.
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... | |