Hello, I am trying to calculate volume of a bulk liquid at different temperature and store them in a variable. Because I need the square of these volume values. I did not find any compute command for this. How to solve this problem?
Hello, I am trying to calculate volume of a bulk liquid at different
temperature and store them in a variable. Because I need the square of
these volume values. I did not find any compute command for this. How to
solve this problem?
since you say, you have a bulk system, the total volume of your liquid
would be the volume of the simulation box. the volume of the simulation
box is available through the thermo keyword "vol". to compute the square of
that you may use $(vol*vol) or construct an equal style variable for it.
please see the documentation of the variable command for more details.
axel.