Hi
What is the use of the array virial[ ]?
and what are values stored in the following arrays virial[0] , virial [1],virial [2],virial[3],virial [4],virial[5]… ?
or what is the use ? how does it affect the system …?
Hi
hi!
What is the use of the array virial[ ]?
it may be too obvious, but it contains the "virial".
and what are values stored in the following arrays virial[0] , virial
[1],virial [2],virial[3],virial [4],virial[5]... ?
those are the components (it is a symmetric 3x3 matrix
so you need to consider only xx, yy, zz, xy, xz, and yz).
or what is the use ? how does it affect the system ..?
please pick up your favorite text book on MD!
or take a seak peak at:
http://en.wikipedia.org/wiki/Virial_stress
cheers,
axel.