Gromacs
2019.1
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#include "gmxpre.h"
#include "boxdeformation.h"
#include "gromacs/compat/make_unique.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/invertmatrix.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/exceptions.h"
Defines the box deformation code.
Functions | |
std::unique_ptr< BoxDeformation > | gmx::prepareBoxDeformation (const matrix &initialBox, t_commrec *cr, const t_inputrec &inputrec) |
Factory function for box deformation module. More... | |