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Classes | Enumerations
#include <map>
#include <vector>
#include "gromacs/fileio/enxio.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
+ Include dependency graph for biaswriter.h:
+ This graph shows which files directly or indirectly include this file:

Description

This file contains the BiasWriter class that prepares and writes data of a Bias to an energy file.

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

Classes

class  gmx::AwhEnergyBlock
 AWH output data block that can be written to an energy file block. More...
 
class  gmx::BiasWriter
 Class organizing the output data storing and writing of an AWH bias. More...
 

Enumerations

enum  gmx::AwhOutputEntryType {
  gmx::AwhOutputEntryType::MetaData, gmx::AwhOutputEntryType::CoordValue, gmx::AwhOutputEntryType::Pmf, gmx::AwhOutputEntryType::Bias,
  gmx::AwhOutputEntryType::Visits, gmx::AwhOutputEntryType::Weights, gmx::AwhOutputEntryType::Target, gmx::AwhOutputEntryType::ForceCorrelationVolume,
  gmx::AwhOutputEntryType::FrictionTensor
}
 Enum with the AWH variables to write. More...
 
enum  gmx::AwhOutputMetaData { gmx::AwhOutputMetaData::NumBlock, gmx::AwhOutputMetaData::TargetError, gmx::AwhOutputMetaData::ScaledSampleWeight, gmx::AwhOutputMetaData::Count }
 Enum with the types of metadata to write. More...
 
enum  gmx::Normalization { gmx::Normalization::None, gmx::Normalization::Coordinate, gmx::Normalization::FreeEnergy, gmx::Normalization::Distribution }
 Enum with different ways of normalizing the output. More...