jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9918 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-05-24 20:25:58 +00:00
parent 0c81ff62d6
commit 3038917a09
2 changed files with 86 additions and 40 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

63
doc/fix_pour.html
View File

@ -31,10 +31,16 @@
<PRE> <I>region</I> value = region-ID
region-ID = ID of region to use as insertion volume
<I>diam</I> values = lo hi
lo,hi = range of diameters for inserted particles (distance units)
<I>dens</I> values = lo hi
lo,hi = range of densities for inserted particles
<I>diam</I> values = dstyle args
dstyle = <I>one</I> or <I>range</I> or <I>poly</I>
<I>one</I> args = D
D = single diameter for inserted particles (distance units)
<I>range</I> args = Dlo Dhi
Dlo,Dhi = range of diameters for inserted particles (distance units)
<I>one</I> args = Npoly D1 P1 D2 P2 ...
Npoly = # of (D,P) pairs
D1,D2,... = diameter for subset of inserted particles (distance units)
P1,P2,... = percentage of inserted particles with this diameter (0-1)
<I>vol</I> values = fraction Nattempt
fraction = desired volume fraction for filling insertion volume
Nattempt = max # of insertion attempts per atom
@ -53,7 +59,8 @@
<P><B>Examples:</B>
</P>
<PRE>fix 3 all pour 1000 2 29494 region myblock
fix 2 all pour 10000 1 19985583 region disk vol 0.33 100 rate 1.0 diam 0.9 1.1
fix 2 all pour 10000 1 19985583 region disk vol 0.33 100 rate 1.0 diam range 0.9 1.1
fix 2 all pour 10000 1 19985583 region disk diam poly 2 0.7 0.4 1.5 0.6
</PRE>
<P><B>Description:</B>
</P>
@ -80,22 +87,38 @@ that the previously inserted particles fall out of the insertion
volume under the influence of gravity. Insertions continue every so
many timesteps until the desired # of particles has been inserted.
</P>
<P>All other keywords are optional with defaults as shown below. The
<I>diam</I>, <I>dens</I>, and <I>vel</I> options enable inserted particles to have a
range of diameters or densities or xy velocities. The specific values
for a particular inserted particle will be chosen randomly and
uniformly between the specified bounds. The <I>vz</I> or <I>vy</I> value for
option <I>vel</I> assigns a z-velocity (3d) or y-velocity (2d) to each
inserted particle.
<P>All other keywords are optional with defaults as shown below.
</P>
<P>The <I>diam</I> option specifes the diameters of inserted particles. There
are 3 styles: <I>one</I>, <I>range</I>, or <I>poly</I>. For <I>one</I>, all particles
will have diameter <I>D</I>. For <I>range</I>, the diameter of each particle
will be chosen randomly and uniformly between the specified <I>Dlo</I> and
<I>Dhi</I> bounds. For <I>poly</I>, a series of <I>Npoly</I> diameters is specified.
For each diameter a percentage value from 0.0 to 1.0 is also
specified. The <I>Npoly</I> percentages must sum to 1.0. For the example
shown above with "diam 2 0.7 0.4 1.5 0.6", all inserted particles will
have a diameter of 0.7 or 1.5. 40% of the particles will be small;
60% will be large.
</P>
<P>The <I>dens</I> and <I>vel</I> options enable inserted particles to have a range
of densities or xy velocities. The specific values for a particular
inserted particle will be chosen randomly and uniformly between the
specified bounds. The <I>vz</I> or <I>vy</I> value for option <I>vel</I> assigns a
z-velocity (3d) or y-velocity (2d) to each inserted particle.
</P>
<P>The <I>vol</I> option specifies what volume fraction of the insertion
volume will be filled with particles. The higher the value, the more
particles are inserted each timestep. Since inserted particles cannot
overlap, the maximum volume fraction should be no higher than about
0.6. Each timestep particles are inserted, LAMMPS will make up to a
total of M tries to insert the new particles without overlaps, where M
= # of inserted particles * Nattempt. If LAMMPS is unsuccessful at
completing all insertions, it prints a warning.
volume will be filled with particles. For particles with a size
specified by the <I>diam range</I> keyword, they are assumed to all be of
maximum diamter <I>Dhi</I> for purposes of computing their contribution to
the volume fraction.
</P>
<P>The higher the volume fraction value, the more particles are inserted
each timestep. Since inserted particles cannot overlap, the maximum
volume fraction should be no higher than about 0.6. Each timestep
particles are inserted, LAMMPS will make up to a total of M tries to
insert the new particles without overlaps, where M = # of inserted
particles * Nattempt. If LAMMPS is unsuccessful at completing all
insertions, it prints a warning.
</P>
<P>The <I>rate</I> option moves the insertion volume in the z direction (3d)
or y direction (2d). This enables pouring particles from a
@ -145,7 +168,7 @@ defined by the <A HREF = "region.html">region</A> command.
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are diam = 1.0 1.0, dens = 1.0 1.0, vol = 0.25 50,
<P>The option defaults are diam = one 1.0, dens = 1.0 1.0, vol = 0.25 50,
rate = 0.0, vel = 0.0 0.0 0.0 0.0 0.0.
</P>
</HTML>

63
doc/fix_pour.txt
View File

@ -21,10 +21,16 @@ one or more keyword/value pairs may be appended to args :l
keyword = {region} or {diam} or {dens} or {vol} or {rate} or {vel} :l
{region} value = region-ID
region-ID = ID of region to use as insertion volume
{diam} values = lo hi
lo,hi = range of diameters for inserted particles (distance units)
{dens} values = lo hi
lo,hi = range of densities for inserted particles
{diam} values = dstyle args
dstyle = {one} or {range} or {poly}
{one} args = D
D = single diameter for inserted particles (distance units)
{range} args = Dlo Dhi
Dlo,Dhi = range of diameters for inserted particles (distance units)
{one} args = Npoly D1 P1 D2 P2 ...
Npoly = # of (D,P) pairs
D1,D2,... = diameter for subset of inserted particles (distance units)
P1,P2,... = percentage of inserted particles with this diameter (0-1)
{vol} values = fraction Nattempt
fraction = desired volume fraction for filling insertion volume
Nattempt = max # of insertion attempts per atom
@ -42,7 +48,8 @@ keyword = {region} or {diam} or {dens} or {vol} or {rate} or {vel} :l
[Examples:]
fix 3 all pour 1000 2 29494 region myblock
fix 2 all pour 10000 1 19985583 region disk vol 0.33 100 rate 1.0 diam 0.9 1.1 :pre
fix 2 all pour 10000 1 19985583 region disk vol 0.33 100 rate 1.0 diam range 0.9 1.1
fix 2 all pour 10000 1 19985583 region disk diam poly 2 0.7 0.4 1.5 0.6 :pre
[Description:]
@ -69,22 +76,38 @@ that the previously inserted particles fall out of the insertion
volume under the influence of gravity. Insertions continue every so
many timesteps until the desired # of particles has been inserted.
All other keywords are optional with defaults as shown below. The
{diam}, {dens}, and {vel} options enable inserted particles to have a
range of diameters or densities or xy velocities. The specific values
for a particular inserted particle will be chosen randomly and
uniformly between the specified bounds. The {vz} or {vy} value for
option {vel} assigns a z-velocity (3d) or y-velocity (2d) to each
inserted particle.
All other keywords are optional with defaults as shown below.
The {diam} option specifes the diameters of inserted particles. There
are 3 styles: {one}, {range}, or {poly}. For {one}, all particles
will have diameter {D}. For {range}, the diameter of each particle
will be chosen randomly and uniformly between the specified {Dlo} and
{Dhi} bounds. For {poly}, a series of {Npoly} diameters is specified.
For each diameter a percentage value from 0.0 to 1.0 is also
specified. The {Npoly} percentages must sum to 1.0. For the example
shown above with "diam 2 0.7 0.4 1.5 0.6", all inserted particles will
have a diameter of 0.7 or 1.5. 40% of the particles will be small;
60% will be large.
The {dens} and {vel} options enable inserted particles to have a range
of densities or xy velocities. The specific values for a particular
inserted particle will be chosen randomly and uniformly between the
specified bounds. The {vz} or {vy} value for option {vel} assigns a
z-velocity (3d) or y-velocity (2d) to each inserted particle.
The {vol} option specifies what volume fraction of the insertion
volume will be filled with particles. The higher the value, the more
particles are inserted each timestep. Since inserted particles cannot
overlap, the maximum volume fraction should be no higher than about
0.6. Each timestep particles are inserted, LAMMPS will make up to a
total of M tries to insert the new particles without overlaps, where M
= # of inserted particles * Nattempt. If LAMMPS is unsuccessful at
completing all insertions, it prints a warning.
volume will be filled with particles. For particles with a size
specified by the {diam range} keyword, they are assumed to all be of
maximum diamter {Dhi} for purposes of computing their contribution to
the volume fraction.
The higher the volume fraction value, the more particles are inserted
each timestep. Since inserted particles cannot overlap, the maximum
volume fraction should be no higher than about 0.6. Each timestep
particles are inserted, LAMMPS will make up to a total of M tries to
insert the new particles without overlaps, where M = # of inserted
particles * Nattempt. If LAMMPS is unsuccessful at completing all
insertions, it prints a warning.
The {rate} option moves the insertion volume in the z direction (3d)
or y direction (2d). This enables pouring particles from a
@ -134,5 +157,5 @@ defined by the "region"_region.html command.
[Default:]
The option defaults are diam = 1.0 1.0, dens = 1.0 1.0, vol = 0.25 50,
The option defaults are diam = one 1.0, dens = 1.0 1.0, vol = 0.25 50,
rate = 0.0, vel = 0.0 0.0 0.0 0.0 0.0.