NoseHoover input documentation
Specify thermostat parameters.
Used to initialize class qimpy.dft.geometry.thermostat.NoseHoover
.
YAML template:
chain-length-T: 3 # Nose-Hoover chain length for thermostat. chain-length-P: 3 # Nose-Hoover chain length for barostat.
Parameters:
chain-length-T
Type: int, Default: 3
Nose-Hoover chain length for thermostat.
chain-length-P
Type: int, Default: 3
Nose-Hoover chain length for barostat.