Hi every one
I know the velocity verlet is used for NVE in forcite.But I still want to know what kinds of algorithms(such as leap frog,verlet)are used for other ensembles(such as NVT,NPT or NPH).
Thanks in advance.
Sincerely
Li
Hi every one
I know the velocity verlet is used for NVE in forcite.But I still want to know what kinds of algorithms(such as leap frog,verlet)are used for other ensembles(such as NVT,NPT or NPH).
Thanks in advance.
Sincerely
Li