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[lammps-users] Virial part in Pressure calculation
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[lammps-users] Virial part in Pressure calculation

From: Xiao Jia <xiaoj@...1508...>
Date: Fri, 13 Oct 2017 04:33:38 -0400

Dear LAMMPS users,

Based on the description of compute_pressure, the virial part will be the summation of Fi_dot_ri, where Fi is the net force on atom i and ri is the location of atom i. 
Based on this description, I have a question about how ri is defined. 
Is ri the absolute location of atom i or there is a reference origin?
If ri is the absolute location of atom i, based on the definition, will the pressure change if we have two systems at same status (assuming same Fi for atoms) but with different spatial location (translational offset)?