domdec_struct.h File Reference

#include <cstddef>
#include <array>
#include <memory>
#include <vector>
#include "gromacs/domdec/domdec_zones.h"
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/topology/block.h"
#include "gromacs/topology/idef.h"
#include "gromacs/utility/defaultinitializationallocator.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/range.h"
#include "gromacs/utility/real.h"

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Description

Declares structures related to domain decomposition.

Author

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

David van der Spoel david.nosp@m..van.nosp@m.dersp.nosp@m.oel@.nosp@m.icm.u.nosp@m.u.se

Classes
class	gmx::HashedMap< T >
	Unordered key to value mapping. More...
struct	UnitCellInfo
	Provides information about properties of the unit cell. More...

Functions
static bool	isValidGlobalAtom (const int globalAtomIndex)
static bool	DDMAIN (const gmx_domdec_t &dd)
	Are we the main node for domain decomposition.
static bool	DDMAIN (const gmx_domdec_t *dd)
	Are we the main node for domain decomposition, deprecated.

Function Documentation

static bool isValidGlobalAtom ( const int  globalAtomIndex )

inlinestatic

Return whether globalAtomIndex is a valid global atom (and not a filler particle)

Parameters

[in]

globalAtomIndex

The index in the global topology to check

Returns

true when globalAtomIndex >= 0, false otherwise