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#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/gmxmpi.h"
+ Include dependency graph for box.h:
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Description

This file declares functions used by the domdec module for (bounding) box and pbc information generation.

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

Classes

class  gmx::ArrayRef< typename >
 STL-like interface to a C array of T (or part of a std container of T). More...
 

Functions

void set_ddbox (const gmx_domdec_t &dd, bool masterRankHasTheSystemState, const matrix box, bool calculateUnboundedSize, gmx::ArrayRef< const gmx::RVec > x, gmx_ddbox_t *ddbox)
 Set the box and PBC data in ddbox.
 
void set_ddbox_cr (DDRole ddRole, MPI_Comm communicator, const ivec *dd_nc, const t_inputrec &ir, const matrix box, gmx::ArrayRef< const gmx::RVec > x, gmx_ddbox_t *ddbox)
 Set the box and PBC data in ddbox.