Hi All,
I have calculated Vx, Vy and Vz velocities for an Argon atom by using Gaussian Distribution on a separate data file and would like to use them by using " variable vx equal normal (0, \{sigma\}, {seed}) " command. I guess the format of my velocity file is not acceptable because LAMMPS cannot read the velocities. How should be the format for it? I have gone through the manual but could not find this information.
Regards,
Rose
Is there a reason why the ‘velocity’ command wouldn’t work?
velocity all create T 4928459 ... dist gaussian
Where “T” is whatever energy level you want to represent the average velocity of your molecules, and “…” represents other options you may or may not be interested in including.
Source:
http://lammps.sandia.gov/doc/velocity.html
Hope that helps!
Benjamin
Hi All,
I have calculated Vx, Vy and Vz velocities for an Argon atom by using Gaussian Distribution on a separate data file and would like to use them by using " variable vx equal normal (0, \{sigma\}, {seed}) " command. I guess the format of my velocity file is not acceptable because LAMMPS cannot read the velocities. How should be the format for it? I have gone through the manual but could not find this information.
there is no such thing as a "velocity file" for lammps. so it is not
clear from your rather vague description what you have been doing.
if you want help you have to provide more specific details and example
files and error messages.
axel.