Gromacs
2021.4
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This file declares functions used by the domdec module for (bounding) box and pbc information generation.
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 . | |