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correlationhistory.h File Reference
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Description

Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed.

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

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...