Gromacs
2025.0-dev-20241011-013a99c
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#include <gromacs/applied_forces/awh/biaswriter.h>
AWH output data block that can be written to an energy file block.
Public Member Functions | |
AwhEnergyBlock (int numPoints, Normalization normalizationType, float normalizationValue) | |
Constructor. More... | |
gmx::ArrayRef< float > | data () |
Returns an ArrarRef to the data in the block. | |
Public Attributes | |
const Normalization | normalizationType_ |
How to normalize the output data. | |
const float | normalizationValue_ |
The normalization value. | |
gmx::AwhEnergyBlock::AwhEnergyBlock | ( | int | numPoints, |
Normalization | normalizationType, | ||
float | normalizationValue | ||
) |
Constructor.
[in] | numPoints | Number of points in block. |
[in] | normalizationType | Type of normalization. |
[in] | normalizationValue | Value to normalization with. |