Gromacs
2025-dev-20240906-b7d3419
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#include <gromacs/applied_forces/awh/tests/awh_setup.h>
Struct that gathers all input for setting up and using a Bias.
Public Member Functions | |
AwhTestParameters (ISerializer *serializer) | |
AwhTestParameters (AwhTestParameters &&o) noexcept | |
Move constructor. | |
Public Attributes | |
double | beta |
1/(kB*T). | |
AwhParams | awhParams |
AWH parameters, this is the struct to actually use. | |
std::vector< DimParams > | dimParams |
Dimension parameters for setting up Bias. | |