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Gromacs
2025.4
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Directory dependency graph for awh:Directories | |
| directory | tests |
Files | |
| file | awh.cpp |
| Implements the Awh class. | |
| file | awh.h |
| Declares the Awh class. | |
| file | bias.cpp |
| Implements the Bias class. | |
| file | bias.h |
| Declares the Bias class. | |
| file | biasgrid.cpp |
| Implements functions in grid.h. | |
| file | biasgrid.h |
| This file contains datatypes and function declarations necessary for AWH to interface with the grid code. | |
| file | biasparams.cpp |
| Implements the initialization of the BiasParams class. | |
| file | biasparams.h |
| Declares the BiasParams class. | |
| file | biassharing.cpp |
| Implements bias sharing checking functionality. | |
| file | biassharing.h |
| Declares functions to check bias sharing properties. | |
| file | biasstate.cpp |
| Implements the BiasState class. | |
| file | biasstate.h |
| Declares the BiasState class. | |
| file | biaswriter.cpp |
| file | biaswriter.h |
| This file contains the BiasWriter class that prepares and writes data of a Bias to an energy file. | |
| file | coordstate.cpp |
| Implements the CoordState class. | |
| file | coordstate.h |
| Declares the CoordState class. | |
| file | correlationgrid.cpp |
| Implements the CorrelationGrid class to collect correlation statistics on a grid, using several block lengths. | |
| file | correlationgrid.h |
| Declares the CorrelationGrid class to collect correlation statistics on a grid, using several block lengths. | |
| file | correlationhistory.cpp |
| Implements helper functions for checkpointing the AWH state and observables history. | |
| file | correlationhistory.h |
| Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed. | |
| file | correlationtensor.cpp |
| Implements the CorrelationTensor class for correlation tensor statistics. | |
| file | correlationtensor.h |
| Declares the CorrelationTensor class for correlation tensor statistics. | |
| file | dimparams.h |
| Declares the DimParams struct and AWH vector types. | |
| file | histogramsize.cpp |
| Implements the HistogramSize class. | |
| file | histogramsize.h |
| Declares the HistogramSize class. | |
| file | pointstate.cpp |
| Implements the one method of the PointState class called only for one point per step. | |
| file | pointstate.h |
| Declares and defines the PointState class. | |
| file | read_params.cpp |
| file | read_params.h |
| Declares functions needed for reading, initializing and setting the AWH parameter data types. | |
1.8.5