Gromacs
2018.8
|
#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... | |