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Added replies to Steve's questions

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Trung Nguyen
2018-07-17 11:05:32 -05:00
parent d23788831c
commit de69e24551
2 changed files with 12 additions and 6 deletions
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8
doc/src/pair_body_rounded_polygon.txt
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@ -71,7 +71,8 @@ cohesive interactions? If so, this should be explained up above.
But an additional confusion is that the specied cutoff (Rc in diagram?) But an additional confusion is that the specied cutoff (Rc in diagram?)
is a single number, but depedning on the orientiation of the 2 is a single number, but depedning on the orientiation of the 2
particles they might have a suface/surface overlap at a much particles they might have a suface/surface overlap at a much
smaller value of Ri + Rj. So what is Rc then? smaller value of Ri + Rj. So what is Rc then? - I added
the following paragraph to address this.
Note that F_n and F_t are functions of the surface separation Note that F_n and F_t are functions of the surface separation
\delta_n = d - (R_i + R_j). \delta_n = d - (R_i + R_j).
@ -100,8 +101,9 @@ k_n (energy/distance^2 units)
k_na (energy/distance^2 units) :ul k_na (energy/distance^2 units) :ul
Effectively, k_n and k_na are the slopes of the red lines in the plot Effectively, k_n and k_na are the slopes of the red lines in the plot
above for force versus distance, for r < 0 and 0 < r < rc above for force versus surface separation, for \delta_n < 0 and 0 < \delta_n < r_c
respectively. TRUNG: is this sentence correct? respectively. (TRUNG: is this sentence correct? - it should read delta_n,
instead of r)
TRUNG: reminder to copy any change in this file TRUNG: reminder to copy any change in this file
to the pair polyhedron file as well (and vice versa) to the pair polyhedron file as well (and vice versa)

10
doc/src/pair_body_rounded_polyhedron.txt
View File

@ -46,7 +46,10 @@ this paragraph would make more sense in the body.txt file about how to
create a model that includes non-body particles (spheres). And in create a model that includes non-body particles (spheres). And in
this pair style file just a couple lines about which part of the this pair style file just a couple lines about which part of the
interactions this pair style computes. Ditto in the pair body polygon interactions this pair style computes. Ditto in the pair body polygon
file. file. - The pair style supports body/sphere and sphere/sphere
given that all the atoms should be of body rounded/polyhedron.
I updated the above paragraph and added examples in body.txt for
specifying the special objects (i.e. spheres and rods).
This pairwise interaction between the rounded polyhedra is described in This pairwise interaction between the rounded polyhedra is described in
"Wang"_#Wang, where a polyhedron does not have sharp corners and "Wang"_#Wang, where a polyhedron does not have sharp corners and
@ -94,8 +97,9 @@ k_n (energy/distance^2 units)
k_na (energy/distance^2 units) :ul k_na (energy/distance^2 units) :ul
Effectively, k_n and k_na are the slopes of the red lines in the plot Effectively, k_n and k_na are the slopes of the red lines in the plot
above for force versus distance, for r < 0 and 0 < r < rc above for force versus surface separation, for \delta_n < 0 and 0 < \delta_n < r_c
respectively. TRUNG: is this sentence correct? respectively. (TRUNG: is this sentence correct? - it should read delta_n,
instead of r)
[Mixing, shift, table, tail correction, restart, rRESPA info]: [Mixing, shift, table, tail correction, restart, rRESPA info]: