Gromacs
2024.4
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#include <gromacs/mdrunutility/mdmodulesnotifiers.h>
Provides the constant ensemble temperature.
Public Member Functions | |
EnsembleTemperature (const t_inputrec &ir) | |
Check whether the constant ensemble temperature is available. Then, store the value as optional. | |
Public Attributes | |
std::optional< real > | constantEnsembleTemperature_ |
The constant ensemble temperature. | |