Gromacs
2022.2
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#include <gromacs/mdtypes/observableshistory.h>
Observables history, for writing/reading to/from checkpoint file.
Public Attributes | |
std::unique_ptr< energyhistory_t > | energyHistory |
History for energy observables, used for output only. | |
std::unique_ptr< PullHistory > | pullHistory |
History for pulling observables, used for output only. | |
std::unique_ptr< edsamhistory_t > | edsamHistory |
Essential dynamics and flooding history. | |
std::unique_ptr< swaphistory_t > | swapHistory |
Ion/water position swapping history. | |