fix print - variable in title

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1

Hello,

What is the correct way to print a calculated value in the title section of “fix print”. This is what I’m thinking:

“”""
variable eng equal pe
variable current_time equal time
variable surface_area equal lx*ly
fix 2 all print 1000 “{current_time}, {eng}” file potential_energy.csv title “Surface area = ${surface_area}”

“”""

Thanks for the help!
Stacey

2

Why ask? Why don’t you just try it out with a quick test example?

3

I currently do not have a data file since the calculation is based on a previous calculation that is running. I’m trying to put together the next input file and was not sure if the way I want to specify the title section was right.

4

Hello,

I have tried this and it did not work:

“”""
variable eng equal pe
variable current_time equal time
variable surface_area equal lx*ly
fix 2 all print 1000 “{current_time}, {eng}” file potential_energy.csv title “Surface area = ${surface_area}”

“”""

What is the proper way to print a variable in the title keyword?

Thanks!

5

Hello,

I have tried this and it did not work:

“”""
variable eng equal pe
variable current_time equal time
variable surface_area equal lx*ly
fix 2 all print 1000 “{current_time}, {eng}” file potential_energy.csv title “Surface area = ${surface_area}”

“”""

What is the proper way to print a variable in the title keyword?

then there is no way. does it say anywhere in the documentation of fix print, that you can put variables into the title string?

axel.

6

Hi Axel,

Nope, the fix print documentation does not mention anything about variables in the title string.

Thanks!

7

you could work around it by using the print command to print to a file and then in fix print use “append” instead of “file” and an empty title.
or you could encode the property you want to record simply into the filename.

axel.

8

Thanks Axel

I like the print and append approach.