Gromacs
2024.4
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Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed.
Functions | |
CorrelationGridHistory | gmx::initCorrelationGridHistoryFromState (const CorrelationGrid &corrGrid) |
Allocate a correlation grid history with the same structure as the given correlation grid. More... | |
void | gmx::restoreCorrelationGridStateFromHistory (const CorrelationGridHistory &corrGridHist, CorrelationGrid *corrGrid) |
Restores the correlation grid state from the correlation grid history. More... | |
void | gmx::updateCorrelationGridHistory (CorrelationGridHistory *corrGridHist, const CorrelationGrid &corrGrid) |
Update the correlation grid history for checkpointing. More... | |