Gromacs
2024.4
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#include "gmxpre.h"
#include "gromacs/topology/topsort.h"
#include <gmock/gmock.h>
#include <gtest/gtest.h>
#include "gromacs/mdtypes/atominfo.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
Implements test of topology sorting routines.
Functions | |
t_iparams | gmx::anonymous_namespace{topsort.cpp}::makeUnperturbedBondParams (real rA, real kA) |
Helper function. | |
t_iparams | gmx::anonymous_namespace{topsort.cpp}::makePerturbedBondParams (real rA, real kA, real rB, real kB) |
Helper function. | |
t_iparams | gmx::anonymous_namespace{topsort.cpp}::makeUnperturbedLJ14Params (real c6A, real c12A) |
Helper function. | |
t_iparams | gmx::anonymous_namespace{topsort.cpp}::makePerturbedLJ14Params (real c6A, real c12A, real c6B, real c12B) |
Helper function. | |