Hi,
I am using the implicit wall method available in 4.0.x and I cannot
seem to find any published work on the method, aside from the manual.
I think I have an overall understanding of the method, but I am not
confident about some key details:
- Is the force generated from the wall derived from a continuum
representation of the wall based on the surface density, or from a
lattice of virtual atoms? I am leaning toward #1 just because it
works great under NPT
- What is the depth of the virtual wall when wall_r_linpot=0? Is it LJ
cutoff? or "zero"?
- Are any of developer willing to validate the paragraph we plan on
writing in my student thesis and future publications (when it's all
ready)?
Thank you in advance.
Yves
--
Yves Dubief, Ph.D., Assistant Professor
University of Vermont, School of Engineering
Mechanical Engineering Program
Vermont Advanced Computing Center
206 Farrell Hall, 210 Colchester Ave, Burlington, VT 05405
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