Gromacs
2019
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#include <memory>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/classhelpers.h"
Declares interface to 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... | |