Gromacs  2021-beta2-UNCHECKED
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UnitCellInfo Struct Reference

#include <gromacs/domdec/domdec_struct.h>


Provides information about properties of the unit cell.

Public Member Functions

 UnitCellInfo (const t_inputrec &ir)

Public Attributes

int npbcdim
 We have PBC from dim 0 (X) up to npbcdim.
int numBoundedDimensions
 The system is bounded from 0 (X) to numBoundedDimensions.
bool ddBoxIsDynamic
 Tells whether the box bounding the atoms is dynamic.
bool haveScrewPBC
 Screw PBC?

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