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Searched refs:r_2b (Results 1 – 3 of 3) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/
H A Ddomdec_topology.cpp1997 real* r_2b, in dd_bonded_cg_distance() argument
2007 *r_2b = 0; in dd_bonded_cg_distance()
2055 *r_2b = sqrt(bd_2b.r2); in dd_bonded_cg_distance()
2058 if (*r_2b > 0 || *r_mb > 0) in dd_bonded_cg_distance()
2061 if (*r_2b > 0) in dd_bonded_cg_distance()
2065 " two-body bonded interactions: %5.3f nm, %s, atoms %d %d", *r_2b, in dd_bonded_cg_distance()
H A Ddomdec.h306 real* r_2b,
H A Ddomdec.cpp2163 real r_2b, r_mb; in getSystemInfo() local
2168 options.checkBondedInteractions, &r_2b, &r_mb); in getSystemInfo()
2170 gmx_bcast(sizeof(r_2b), &r_2b, communicator); in getSystemInfo()
2178 if (std::max(r_2b, r_mb) > systemInfo.cutoff) in getSystemInfo()
2180 const real r_bonded = std::max(r_2b, r_mb); in getSystemInfo()
2199 systemInfo.minCutoffForMultiBody = tenPercentMargin * std::max(r_2b, r_mb); in getSystemInfo()