using variable lammps

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1

Dear users,
Please who can help me ,
to calculate some thermodynamic properties
in different temperature i used variables below,
variable a loop 7
variable t index 100 200 300 400 500 600 700
how can i display temperature in thermo_style

i used thermo_style custom step temp epair etotal v_t but no result.
Regards

2

Dear users,
Please who can help me ,
to calculate some thermodynamic properties
in different temperature i used variables below,
variable a loop 7
variable t index 100 200 300 400 500 600 700
how can i display temperature in thermo_style

i used thermo_style custom step temp epair etotal v_t but no result.

what do you mean by "no result"?
there should be some kind of output or an error message.

axel.

p.s.: also, please *always* state which version of LAMMPS you are
using and on what platform you are running!

3

Dear Dr. Axel Kohlmeyer,

Thank you for your response and suggestions.

I am using LAMMPS version released on 11 Aug 2017, running on Linux platform.
My system is in solid state, a molecule containing C,H, O atoms placed on a graphene sheet.

Could you please suggest some other force-field for this type of system, i.e., containing C,H, and O atoms?

I could not find any other potential in LAMMPS potential directory for C,H,O.

Kind Regards

Saeed

4

Thermo outputs equal-style variables (see the vairalbe doc page).

You can just assign your index variable to an equal-style variable.

Steve