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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9794 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2013-04-23 22:53:17 +00:00
parent f40772a17d
commit d8011903ba
2 changed files with 34 additions and 6 deletions
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20
doc/fix_deposit.html
View File

@ -29,10 +29,13 @@
<LI>one or more keyword/value pairs may be appended to args
<LI>keyword = <I>region</I> or <I>global</I> or <I>local</I> or <I>near</I> or <I>attempt</I> or <I>rate</I> or <I>vx</I> or <I>vy</I> or <I>vz</I> or <I>units</I>
<LI>keyword = <I>region</I> or <I>id</I> or <I>global</I> or <I>local</I> or <I>near</I> or <I>attempt</I> or <I>rate</I> or <I>vx</I> or <I>vy</I> or <I>vz</I> or <I>units</I>
<PRE> <I>region</I> value = region-ID
region-ID = ID of region to use as insertion volume
<I>id</I> value = <I>max</I> or <I>next</I>
max = atom ID for new atom is max ID of all current atoms plus one
next = atom ID for new atom increments by one for every deposition
<I>global</I> values = lo hi
lo,hi = put new particle a distance lo-hi above all other particles (distance units)
<I>local</I> values = lo hi delta
@ -134,6 +137,16 @@ inserted particle will be changed in a way so that it would pass
through the specified coordinate. This allows convenient simulation
of a sputtering process.
</P>
<P>The <I>id</I> keyword determines how an atom ID is assigned to newly
deposited atoms. For the <I>max</I> setting, the IDs of all current atoms
are checked and the new ID is the current maximum value plus one.
This means that if atoms have left the system, the new ID may reflect
this fact. For the <I>next</I> setting, the maximum ID of all atoms is
stored at the time the fix is defined. Each time a deposited atom is
added, this value is incremented by one and assigned to the new atom.
Thus atom IDs for deposited atoms will be consecutive even if atoms
leave the system over time.
</P>
<P>The <I>units</I> keyword determines the meaning of the distance units used
for the other deposition parameters. A <I>box</I> value selects standard
distance units as defined by the <A HREF = "units.html">units</A> command,
@ -171,7 +184,8 @@ defined by the <A HREF = "region.html">region</A> command.
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are delta = 0.0, near = 0.0, attempt = 10, rate =
0.0, vx = 0.0 0.0, vy = 0.0 0.0, vz = 0.0 0.0, and units = lattice.
<P>The option defaults are id = max, delta = 0.0, near = 0.0, attempt =
10, rate = 0.0, vx = 0.0 0.0, vy = 0.0 0.0, vz = 0.0 0.0, and units =
lattice.
</P>
</HTML>

20
doc/fix_deposit.txt
View File

@ -19,9 +19,12 @@ type = atom type to assign to inserted atoms :l
M = insert a single particle every M steps :l
seed = random # seed (positive integer) :l
one or more keyword/value pairs may be appended to args :l
keyword = {region} or {global} or {local} or {near} or {attempt} or {rate} or {vx} or {vy} or {vz} or {units} :l
keyword = {region} or {id} or {global} or {local} or {near} or {attempt} or {rate} or {vx} or {vy} or {vz} or {units} :l
{region} value = region-ID
region-ID = ID of region to use as insertion volume
{id} value = {max} or {next}
max = atom ID for new atom is max ID of all current atoms plus one
next = atom ID for new atom increments by one for every deposition
{global} values = lo hi
lo,hi = put new particle a distance lo-hi above all other particles (distance units)
{local} values = lo hi delta
@ -121,6 +124,16 @@ inserted particle will be changed in a way so that it would pass
through the specified coordinate. This allows convenient simulation
of a sputtering process.
The {id} keyword determines how an atom ID is assigned to newly
deposited atoms. For the {max} setting, the IDs of all current atoms
are checked and the new ID is the current maximum value plus one.
This means that if atoms have left the system, the new ID may reflect
this fact. For the {next} setting, the maximum ID of all atoms is
stored at the time the fix is defined. Each time a deposited atom is
added, this value is incremented by one and assigned to the new atom.
Thus atom IDs for deposited atoms will be consecutive even if atoms
leave the system over time.
The {units} keyword determines the meaning of the distance units used
for the other deposition parameters. A {box} value selects standard
distance units as defined by the "units"_units.html command,
@ -158,5 +171,6 @@ defined by the "region"_region.html command.
[Default:]
The option defaults are delta = 0.0, near = 0.0, attempt = 10, rate =
0.0, vx = 0.0 0.0, vy = 0.0 0.0, vz = 0.0 0.0, and units = lattice.
The option defaults are id = max, delta = 0.0, near = 0.0, attempt =
10, rate = 0.0, vx = 0.0 0.0, vy = 0.0 0.0, vz = 0.0 0.0, and units =
lattice.