printing chunkwise temperature

Hii all,

I am trying to calculate the temperature of each chunk of a system .The temperature should not contain contribution of energy from centre of mass velocity. The calculated temperature has to be printed chunkwise at different time step. For that I am using following script. I am having problem in how to print temperature of every chunk. Can anyone suggest.

compute 3 bulk chunk/atom bin/1d z lower ${dz} units box
compute tempcom bulk temp/chunk 3 temp.dat com yes

After this how to print chunkwise temperature

The statement :

fix temp_profile bulk ave/time 500 1 500 c_tempcom file temp.dat mode vector
does not print chunkwise temperature.



You don’t say what the error or issue is.

The compute temp/chunk command doc page explains

that it produces both a global temperature and a global

array with the per-chunk temperatures. To access the

latter your fix ave/time would need to access the columns

of the array, something like c_tempcom[1]. So probably

you are just accessng the global scalar, not the per-chunk values.