Hi richti83,
I want to calculate the total number of atoms used in simulation. How can I find the function of this purpose ? thanks a lot.
yyu
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cstoltz | Wed, 10/23/2013 - 12:37
Check the logfile. It should
Check the logfile. It should give you information on how many particles have been inserted. Also, use 'thermo atoms' to get a reading on how many particles are active in the simulation at any given point.
Regards,
Chris
ckloss | Wed, 10/30/2013 - 10:25
The total number of particles
The total number of particles is stored in the thermo keyword "atoms", see doc for thermo_style
Cheers
Christoph