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Classes
boxdeformation.cpp File Reference
#include "gmxpre.h"
#include <memory>
#include <string>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "testutils/refdata.h"
#include "testutils/simulationdatabase.h"
#include "testutils/testasserts.h"
#include "energycomparison.h"
#include "moduletest.h"
+ Include dependency graph for boxdeformation.cpp:

Description

Test for continous box deformation.

Testing that one actually obtains the correct stress for a given box deformation rate requires an extreme amount of sampling. Here we mainly check that the system is stable and that the velocity is corrected for atoms that move over PBC.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes

class  gmx::test::anonymous_namespace{boxdeformation.cpp}::BoxDeformationTest
 Test fixture base for simple mdrun systems. More...