Gromacs  2020.4
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boxdeformation.h File Reference
#include <memory>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/classhelpers.h"
+ Include dependency graph for boxdeformation.h:

Description

Declares interface to box deformation code.

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions

std::unique_ptr< BoxDeformation > gmx::prepareBoxDeformation (const matrix &initialBox, t_commrec *cr, const t_inputrec &inputrec)
 Factory function for box deformation module. More...