git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4479 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-08-11 14:30:24 +00:00
parent 92aaa4645a
commit b7ef4596b9
6 changed files with 48 additions and 39 deletions

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@ -112,7 +112,7 @@ if this is not the case, a dump snapshot will only be written if the
setting of this keyword is <I>yes</I>. If it is <I>no</I>, which is the
default, then it will not be written.
</P>
<P>The <I>flush</I> keyword determines whether a flush operation in invoked
<P>The <I>flush</I> keyword determines whether a flush operation is invoked
after a dump snapshot is written to the dump file. A flush insures
the output in that file is current (no buffering by the OS), even if
LAMMPS halts before the simulation completes. Flushes cannot be

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@ -105,7 +105,7 @@ if this is not the case, a dump snapshot will only be written if the
setting of this keyword is {yes}. If it is {no}, which is the
default, then it will not be written.
The {flush} keyword determines whether a flush operation in invoked
The {flush} keyword determines whether a flush operation is invoked
after a dump snapshot is written to the dump file. A flush insures
the output in that file is current (no buffering by the OS), even if
LAMMPS halts before the simulation completes. Flushes cannot be

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@ -19,7 +19,7 @@
<LI>keyword = <I>lost</I> or <I>norm</I> or <I>flush</I> or <I>line</I> or <I>format</I> or <I>temp</I> or <I>press</I> or <I>every</I>
<I>lost</I> value = <I>error</I> or <I>warn</I> or <I>ignore</I>
<PRE> <I>lost</I> value = <I>error</I> or <I>warn</I> or <I>ignore</I>
<I>norm</I> value = <I>yes</I> or <I>no</I>
<I>flush</I> value = <I>yes</I> or <I>no</I>
<I>line</I> value = <I>one</I> or <I>multi</I>
@ -29,7 +29,8 @@
<I>temp</I> value = compute ID that calculates a temperature
<I>press</I> value = compute ID that calculates a pressure
<I>every</I> value = v_name
v_name = an equal-style variable name
v_name = an equal-style variable name
</PRE>
</UL>
<P><B>Examples:</B>

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@ -24,7 +24,7 @@ keyword = {lost} or {norm} or {flush} or {line} or {format} or {temp} or {press}
{temp} value = compute ID that calculates a temperature
{press} value = compute ID that calculates a pressure
{every} value = v_name
v_name = an equal-style variable name
v_name = an equal-style variable name :pre
:ule
[Examples:]

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@ -415,12 +415,13 @@ the ID of a compute defined elsewhere in the input script. As
discussed in the doc page for the <A HREF = "compute.html">compute</A> command,
computes can produce global, per-atom, or local values. Only global
and per-atom values can be used in a variable. Computes can also
produce a scalar, vector, or array. An equal-style variable can use
scalar values, which means a scalar itself, or an element of a vector
or array. Atom-style variables can use either scalar or vector
values. A vector value can be a vector itself, or a column of an
array. See the doc pages for individual computes to see what kind of
values they produce.
produce a scalar, vector, or array. An equal-style variable can only
use scalar values, which means a global scalar, or an element of a
global or per-atom vector or array. Atom-style variables can use the
same scalar values. They can also use per-atom vector values. A
vector value can be a per-atom vector itself, or a column of an
per-atom array. See the doc pages for individual computes to see what
kind of values they produce.
</P>
<P>Examples of different kinds of compute references are as follows.
There is no ambiguity as to what a reference means, since computes
@ -443,15 +444,17 @@ elsewhere in the input script. As discussed in the doc page for the
<A HREF = "fix.html">fix</A> command, fixes can produce global, per-atom, or local
values. Only global and per-atom values can be used in a variable.
Fixes can also produce a scalar, vector, or array. An equal-style
variable can use scalar values, which means a scalar itself, or an
element of a vector or array. Atom-style variables can use either
scalar or vector values. A vector value can be a vector itself, or a
column of an array. See the doc pages for individual fixes to see
what kind of values they produce.
variable can only use scalar values, which means a global scalar, or
an element of a global or per-atom vector or array. Atom-style
variables can use the same scalar values. They can also use per-atom
vector values. A vector value can be a per-atom vector itself, or a
column of an per-atom array. See the doc pages for individual fixes
to see what kind of values they produce.
</P>
<P>The different kinds of fix references are exactly the same as the
compute references listed in the above table, where "c_" is replaced
by "f_".
by "f_". Again, there is no ambiguity as to what a reference means,
since fixes only produce global or per-atom quantities, never both.
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >f_ID</TD><TD > global scalar, or per-atom vector</TD></TR>
@ -474,14 +477,15 @@ which will cause those variables to be evaluated. The name in the
reference should be replaced by the name of a variable defined
elsewhere in the input script. As discussed on this doc page,
atom-style variables generate a per-atom vector of values; all other
variable styles generate a single scalar value. An equal-style
variable can use scalar values produce by another variable, but not
per-atom vectors. Atom-style variables can use either scalar or
per-atom vector values.
variable styles generate a global scalar value. An equal-style
variable can reference a global scalar value produced by another
variable, but not a per-atom vector produced by an atom-style
variable. Atom-style variables can reference either global scalar or
per-atom vector values produced by kind of variable.
</P>
<P>Examples of different kinds of variable references are as follows.
There is no ambiguity as to what a reference means, since variables
only produce scalar or per-atom vectors, never both.
produce only a global scalar or a per-atom vectors, never both.
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >v_name</TD><TD > scalar, or per-atom vector</TD></TR>

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@ -414,12 +414,13 @@ the ID of a compute defined elsewhere in the input script. As
discussed in the doc page for the "compute"_compute.html command,
computes can produce global, per-atom, or local values. Only global
and per-atom values can be used in a variable. Computes can also
produce a scalar, vector, or array. An equal-style variable can use
scalar values, which means a scalar itself, or an element of a vector
or array. Atom-style variables can use either scalar or vector
values. A vector value can be a vector itself, or a column of an
array. See the doc pages for individual computes to see what kind of
values they produce.
produce a scalar, vector, or array. An equal-style variable can only
use scalar values, which means a global scalar, or an element of a
global or per-atom vector or array. Atom-style variables can use the
same scalar values. They can also use per-atom vector values. A
vector value can be a per-atom vector itself, or a column of an
per-atom array. See the doc pages for individual computes to see what
kind of values they produce.
Examples of different kinds of compute references are as follows.
There is no ambiguity as to what a reference means, since computes
@ -440,15 +441,17 @@ elsewhere in the input script. As discussed in the doc page for the
"fix"_fix.html command, fixes can produce global, per-atom, or local
values. Only global and per-atom values can be used in a variable.
Fixes can also produce a scalar, vector, or array. An equal-style
variable can use scalar values, which means a scalar itself, or an
element of a vector or array. Atom-style variables can use either
scalar or vector values. A vector value can be a vector itself, or a
column of an array. See the doc pages for individual fixes to see
what kind of values they produce.
variable can only use scalar values, which means a global scalar, or
an element of a global or per-atom vector or array. Atom-style
variables can use the same scalar values. They can also use per-atom
vector values. A vector value can be a per-atom vector itself, or a
column of an per-atom array. See the doc pages for individual fixes
to see what kind of values they produce.
The different kinds of fix references are exactly the same as the
compute references listed in the above table, where "c_" is replaced
by "f_".
by "f_". Again, there is no ambiguity as to what a reference means,
since fixes only produce global or per-atom quantities, never both.
f_ID: global scalar, or per-atom vector
f_ID\[I\]: Ith element of global vector, or atom I's value in per-atom vector, or Ith column from per-atom array
@ -469,14 +472,15 @@ which will cause those variables to be evaluated. The name in the
reference should be replaced by the name of a variable defined
elsewhere in the input script. As discussed on this doc page,
atom-style variables generate a per-atom vector of values; all other
variable styles generate a single scalar value. An equal-style
variable can use scalar values produce by another variable, but not
per-atom vectors. Atom-style variables can use either scalar or
per-atom vector values.
variable styles generate a global scalar value. An equal-style
variable can reference a global scalar value produced by another
variable, but not a per-atom vector produced by an atom-style
variable. Atom-style variables can reference either global scalar or
per-atom vector values produced by kind of variable.
Examples of different kinds of variable references are as follows.
There is no ambiguity as to what a reference means, since variables
only produce scalar or per-atom vectors, never both.
produce only a global scalar or a per-atom vectors, never both.
v_name: scalar, or per-atom vector
v_name\[I\]: atom I's value in per-atom vector :tb(s=:)