thermo output error

LAMMPS LAMMPS Mailing List Mirror
1

Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions about thermo output error :
I set :
variable Pvm equal sqrt(((Pxx-Pyy)^2+(Pxx-Pzz)^2+(Pzz-Pyy)^2)/2)
thermo_style custom step temp vol press pxx pyy pzz pxy pxz pyz v_Pvm
then I get an error:ERROR: Invalid thermo keyword in variable formula (…/variable.cpp:1512)
However, if I cancel v_Pvm and set:thermo_style custom step temp vol press pxx pyy pzz pxy pxz pyz
Everything is ok.I wonder what’s wrong and how to solve the problem?

Thank you very much for your answer

2

Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions about thermo output error :
I set :
variable Pvm equal sqrt(((Pxx-Pyy)^2+(Pxx-Pzz)^2+(Pzz-Pyy)^2)/2)
thermo_style custom step temp vol press pxx pyy pzz pxy pxz pyz v_Pvm
then I get an error:ERROR: Invalid thermo keyword in variable formula (…/variable.cpp:1512)
However, if I cancel v_Pvm and set:thermo_style custom step temp vol press pxx pyy pzz pxy pxz pyz
Everything is ok.I wonder what’s wrong and how to solve the problem?

Do what the error message tells you answer correct your equal style variable formula.

3

Pxx is not the same as pxx. Your variable is thus invalid.

Steve