Gromacs  2021.2
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wholemoleculetransform.h File Reference
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/pbcutil/mshift.h"
#include "gromacs/utility/arrayref.h"
+ Include dependency graph for wholemoleculetransform.h:

Description

Declares the WholeMolecules class for generating whole molecules.

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

Classes

class  gmx::WholeMoleculeTransform
 This class manages a coordinate buffer with molecules not split over periodic boundary conditions for use in force calculations which require whole molecules. More...