Dear lammps users,
I want to calculate the thermal conductivity for ellipsoidal particles.I used the heat/flux command.
ERROR:The compute heat/flux does not support “atom_style ellipsoid” and “pair_style gayberne”.
“ERROR: Compute heat/flux requires ghost atoms store velocity”
What would you recommend?
"ERROR: Compute heat/flux requires ghost atoms store velocity"
This is the easy one. Use
atom_style hybrid ellipsoid dpd
ERROR:The compute heat/flux does not support "atom_style ellipsoid" and
This is a problem. heat/flux works with pair potentials only.
You can use fix thermal/conductivity instead.
2009/9/10 ahmet yıldırım <ahmedo0[email protected]>:
ERROR:The compute heat/flux does not support "atom_style ellipsoid" and "pair_style gayberne"
This error is not printed by LAMMPS that I see - did you make it up?
However, you cannot use pair_style gayberne with compute h/f b/c
the pair_style requires a "single" function. GB does not have one
b/c it computes torques as well as forces.
2009/9/10 ahmet yıldırım <[email protected]>:
As far as I understand the heat/flux command doesn’t convenient.
By the way, what is b/c and h/f?
Then, can I use the fix thermal/conductivity command for calculate the thermal conductivity of ellipsoidal particles instead of heat/flux command?
Is the fix thermal/conductivity command convenient for ellipsoidal particles by using pair_style gayberne?
Thanks in advance
11 Eylül 2009 18:54 tarihinde Steve Plimpton <[email protected]> yazdı:
b/c = because
h/f = heat/flux
You should be able to use fix thermal/conductivity with GB.
2009/9/11 ahmet yıldırım <[email protected]>: