Open IAlibay opened 8 months ago
In gas phase there are no NVT and NPT ensembles, so the logger info ends up being misleading for users.
If there is no NVT equilibration, there's no logger call anymore. For NPT it would still give the logger info, even for gas-phase NPT.
In gas phase there are no NVT and NPT ensembles, so the logger info ends up being misleading for users.