Gromacs
2020.4
|
#include <cstddef>
#include <vector>
Declares functions to check bias sharing properties.
This actual sharing of biases is currently implemeted in BiasState.
Functions | |
bool | gmx::haveBiasSharingWithinSimulation (const AwhParams &awhParams) |
Returns if any bias is sharing within a simulation. More... | |
void | gmx::biasesAreCompatibleForSharingBetweenSimulations (const AwhParams &awhParams, const std::vector< size_t > &pointSize, const gmx_multisim_t *multiSimComm) |
Checks if biases are compatible for sharing between simulations, throws if not. More... | |