Gromacs: gmx::Update Class Reference

#include <gromacs/mdlib/update.h>

Description

Contains data for update phase.


Classes

class   Impl
  pImpled implementation for Update More…
 


Public Member Functions


 
Update (const t_inputrec *ir, BoxDeformation *boxDeformation)
  Constructor.
 

gmx_stochd_t * 
sd () const
  Returns handle to stochd_t struct.
 

PaddedVector< gmx::RVec > * 
xp ()
  Returns pointer to PaddedVector xp.
 

BoxDeformation * 
deform () const
  Returns handle to box deformation class.
 

void 
setNumAtoms (int nAtoms)
  Resizes xp.
 

The documentation for this class was generated from the following files:

  • src/gromacs/mdlib/update.h
  • src/gromacs/mdlib/update.cpp

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