Output compute temp/profile

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1

Dear lammps-users,

I have a very naive questions. Supposing I have 40 bins in x direction in the command “computing temp/profile” and the out info is set as ‘bin’

compute myTemp methane temp/profile 1 1 1 x 40 out bin

How should I thermo_output all these 40 temperatures in each bins?

I tried:

thermo custom step c_myTemp

It just gives one scalar instead of an array.

I tried:

thermo custom step c_myTemp[20][1] c_myTemp[20][2]

it can give me the number of atoms and temperature in 20th bins.

So my question is, is there any easier way that I can output all these temperatures instead of typing 40 times “c_myTemp[X][1] c_myTemp[X][2]”. Any help would be appreciated. Thanks.

Bests,
Shuai

2

Dear lammps-users,

I have a very naive questions. Supposing I have 40 bins in x direction in
the command "computing temp/profile" and the out info is set as 'bin'

compute myTemp methane temp/profile 1 1 1 x 40 out bin

How should I thermo_output all these 40 temperatures in each bins?

please see:

http://lammps.sandia.gov/doc/Section_howto.html#howto-15

for your case, using fix ave/time is probably the most suitable option.

axel.