gmx_wallcycle* wcycle_ = nullptr;
};
-/*! \brief Scaling matrix struct.
- *
- * \todo Should be generalized.
- */
-struct ScalingMatrix
-{
- ScalingMatrix(const matrix m) :
- xx(m[XX][XX]), yy(m[YY][YY]), zz(m[ZZ][ZZ]), yx(m[YY][XX]), zx(m[ZZ][XX]), zy(m[ZZ][YY])
- {
- }
- float xx, yy, zz, yx, zx, zy;
-};
-
} // namespace gmx
#endif // GMX_MDLIB_UPDATE_CONSTRAIN_GPU_IMPL_H