From 3038917a09496a17face2d101dfe62a98e03bf6b Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 24 May 2013 20:25:58 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9918 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_pour.html | 63 ++++++++++++++++++++++++++++++++--------------- doc/fix_pour.txt | 63 ++++++++++++++++++++++++++++++++--------------- 2 files changed, 86 insertions(+), 40 deletions(-) diff --git a/doc/fix_pour.html b/doc/fix_pour.html index 8ef12fa784..b99930d4d8 100644 --- a/doc/fix_pour.html +++ b/doc/fix_pour.html @@ -31,10 +31,16 @@ 
  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
@@ -53,7 +59,8 @@
 
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 
+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 
 

 
Description:
 

@@ -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.
 

-
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
@@ -145,7 +168,7 @@ defined by the region 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.
 

 
diff --git a/doc/fix_pour.txt b/doc/fix_pour.txt
index e1521809cf..49686822ee 100644
--- a/doc/fix_pour.txt
+++ b/doc/fix_pour.txt
@@ -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.