in pair_style the manual gives T = temperature (temperature units) but the value for the units given in the examples is numeric:
pair_style dpd T cutoff seed
pair_style dpd 1.0 2.5 34387
what is the significance of the numbers in the T position, i though units were set in the initialization portion of the input script with the units command.
Thanks,
Ryan
pair_style dpd 1.0 2.5 34387
The above setting is in LJ unit,I think. 1.0 means Kb*T/epsion = 1.0. In real unit it can be 300K
wende
2008/10/29 Ryan Crocker <rcrocker@…205…>
The units comand defines what units are used for T or
any other physical quantity. But when you define T in
a command (either pair_style dpd or velocity or fix nvt),
then you have to give it a T in those units. 1.0
is the temperature you're requesting in reduced LJ units,
that the thermostatting part of DPD will use.
Steve