What is the default thermostat algorithm?

[davidpjm]

Hello xTB developers and community,

I have a question regarding the molecular dynamics (MD) simulations performed with the xtb program.

When I run an NVT simulation using temp flags, the documentation doesn't specify which thermostat algorithm is used by default to maintain the system's temperature.

Could you please clarify which algorithm is implemented? I am particularly interested to know if it is a Nosé-Hoover, Berendsen, or Langevin thermostat, or perhaps another method.

Knowing the specific thermostat used is crucial for the correct analysis of the simulation trajectory. Any insight you can provide would be very helpful.

Thank you for your great work on this program

[vvchaban]

Berendsen