Gromacs
2019.4
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Struct that gathers all input for setting up and using a Bias.
Public Member Functions | |
AwhTestParameters (AwhTestParameters &&o) noexcept | |
Move constructor. | |
Public Attributes | |
double | beta |
1/(kB*T) | |
AwhDimParams | awhDimParams |
Dimension parameters pointed to by awhBiasParams . | |
AwhBiasParams | awhBiasParams |
Bias parameters pointed to by [ awhParams. | |
AwhParams | awhParams |
AWH parameters, this is the struct to actually use. | |
std::vector< DimParams > | dimParams |
Dimension parameters for setting up Bias. | |