Gromacs  2022.2
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topologyinformation.cpp File Reference
#include "gmxpre.h"
#include "topologyinformation.h"
#include <memory>
#include "gromacs/fileio/confio.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pbcutil/rmpbc.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/unique_cptr.h"
+ Include dependency graph for topologyinformation.cpp:

Description

Implements classes in topologyinformation.h.

Author
Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

Functions

AtomsDataPtr gmx::anonymous_namespace{topologyinformation.cpp}::makeAtoms (const TopologyInformation &top_)
 Helps implement lazy initialization.
 
gmx_rmpbc_t gmx::gmx_rmpbc_init (const gmx::TopologyInformation &topInfo)
 Convenience overload useful for implementing legacy tools.