Gromacs  2020.4
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biassharing.h File Reference
#include <cstddef>
#include <vector>
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Description

Declares functions to check bias sharing properties.

This actual sharing of biases is currently implemeted in BiasState.

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

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...