Hi everyone, In the eff package, I modified the code to add separate thermostats for the translation motion of electrons and nucleis. However, the electrons have a radial motion. I want to add a thermostat for it. Should I add a new fix and a new compute_temp file to the package? Regards Zhou 1 post - 1 participant Read full topic
03:00 - 09:0015:00 - 19:00
03:00 - 09:0015:00 - 19:00