PIMD thermostat
Posted: Mon Nov 16, 2020 12:25 pm
Hi,
I wanted to know what type of thermostat is the RPMD plugin using. Is it a local or a global thermostat? The manual isn't clear about which type of thermostat it is. The manual mentions the paper "Efficient stochastic thermostatting of path integral molecular dynamics", however the paper itself has two implementations of a stochastic thermostat, local and global.
Ali
I wanted to know what type of thermostat is the RPMD plugin using. Is it a local or a global thermostat? The manual isn't clear about which type of thermostat it is. The manual mentions the paper "Efficient stochastic thermostatting of path integral molecular dynamics", however the paper itself has two implementations of a stochastic thermostat, local and global.
Ali