Gromacs  2024.1
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#include "gromacs/math/vectypes.h"
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Description

This file declares the function for computing the required cutoff distance for inter-domain multi-body interactions, when those exist.

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 dd_bonded_cg_distance (const gmx::MDLogger &mdlog, const gmx_mtop_t &mtop, const t_inputrec &ir, gmx::ArrayRef< const gmx::RVec > x, const matrix box, gmx::DDBondedChecking ddBondedChecking, real *r_2b, real *r_mb)
 Calculate the maximum distance involved in 2-body and multi-body bonded interactions.