Gromacs
2026.0-dev-20241212-74b8831
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#include <cstdio>
#include <bitset>
#include <memory>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/real.h"
This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.
Clients of libgromacs that want to evaluate listed interactions should call functions declared here.
Classes | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
class | gmx::ArrayRefWithPadding< typename > |
Interface to a C array of T (or part of a std container of T), that includes padding that is suitable for the kinds of SIMD operations GROMACS uses. More... | |
class | ListedForces |
Class for calculating listed interactions, uses OpenMP parallelization. More... | |