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gmx::BiasWriter Class Reference

#include <gromacs/awh/biaswriter.h>

Description

Class organizing the output data storing and writing of an AWH bias.

Public Member Functions

 BiasWriter (const Bias &bias)
 Constructor. More...
 
int numBlocks () const
 Returns the number of data blocks. More...
 
int writeToEnergySubblocks (const Bias &bias, t_enxsubblock *subblock)
 Collect AWH bias data in blocks and write to energy subblocks. More...
 

Constructor & Destructor Documentation

gmx::BiasWriter::BiasWriter ( const Bias bias)

Constructor.

Parameters
[in]biasThe AWH bias.

Member Function Documentation

int gmx::BiasWriter::numBlocks ( ) const
inline

Returns the number of data blocks.

Returns
the number of data blocks.
int gmx::BiasWriter::writeToEnergySubblocks ( const Bias bias,
t_enxsubblock *  subblock 
)

Collect AWH bias data in blocks and write to energy subblocks.

Parameters
[in]biasThe AWH Bias.
[in,out]subblockEnergy subblocks to write to.
Returns
the number of blocks written.

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