Gromacs
2025-dev-20240508-5d2129b
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#include <vector>
Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed.
Functions | |
void | gmx::initCorrelationGridHistory (CorrelationGridHistory *correlationGridHistory, int numCorrelationTensors, int tensorSize, int blockDataListSize) |
Initialize correlation grid history, sets all sizes. More... | |