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multiscale
lammps
Commits
ed3aa9dc
Commit
ed3aa9dc
authored
17 years ago
by
sjplimp
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git-svn-id:
svn://svn.icms.temple.edu/lammps-ro/trunk@1011
f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent
46b23dc1
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doc/Section_howto.html
+14
-8
14 additions, 8 deletions
doc/Section_howto.html
doc/Section_howto.txt
+14
-8
14 additions, 8 deletions
doc/Section_howto.txt
with
28 additions
and
16 deletions
doc/Section_howto.html
+
14
−
8
View file @
ed3aa9dc
...
...
@@ -805,11 +805,10 @@ at a specified frequency. A simulation prints one set of
thermodynamic output; it may generate zero, or one, or multiple dump
files. LAMMPS gives you a variety of ways to determine what
quantities are computed and printed when thermodynamic info or dump
files are output. There are also two fixes which perform time and
spatial averaging of user-defined quantities,
<A
HREF =
"fix_ave_time.html"
>
fix
ave/time
</A>
and
<A
HREF =
"fix_ave_spatial.html"
>
fix
ave/spatial
</A>
. These produce their own output
files and are described below.
files are output. There are also three fixes which do their own
output of user-defined quantities:
<A
HREF =
"fix_ave_time.html"
>
fix ave/time
</A>
for time averaging,
<A
HREF =
"fix_ave_spatial.html"
>
fix ave/spatial
</A>
for spatial
averaging, and
<A
HREF =
"fix_print.html"
>
fix print
</A>
. These are described below.
</P>
<P>
The frequency and format of thermodynamic output is set by the
<A
HREF =
"thermo.html"
>
thermo
</A>
,
<A
HREF =
"thermo_style.html"
>
thermo_style
</A>
, and
...
...
@@ -887,9 +886,9 @@ These per-atom fix values are accessed by the <A HREF = "dump.html">dump custom<
command as f_myKE for a scalar per-atom quantity or as f_myStress[2]
for a component of a vector per-atom quantity.
</P>
<P>
T
wo
other fixes are of particular note for output:
<A
HREF =
"fix_ave_time.html"
>
fix
ave/time
</A>
and
<A
HREF =
"fix_ave_spatial.html"
>
fix
a
ve/spatial
</A>
.
<P>
T
hree
other fixes are of particular note for output:
<A
HREF =
"fix_ave_time.html"
>
fix
ave/time
</A>
,
<A
HREF =
"fix_ave_spatial.html"
>
fix
ave/spatial
</A>
,
a
nd
<A
HREF =
"fix_print.html"
>
fix print
</A>
.
</P>
<P>
The
<A
HREF =
"fix_ave_time.html"
>
fix ave/time
</A>
command enables time-averaging of
global quantities like temperature or pressure. The global quantities
...
...
@@ -910,6 +909,13 @@ average of a spatial average of a time-averaged per-atom quantity.
The time-averaged values generated by
<A
HREF =
"fix_ave_spatial.html"
>
fix
ave/spatial
</A>
are written directly to a file.
</P>
<P>
The
<A
HREF =
"fix_print.html"
>
fix print
</A>
command can generate a line of output
written to the screen and log file periodically during a running
simulation. Since the line can contain one or more
<A
HREF =
"variable.html"
>
variable
</A>
quantities, this command is a means to output
desired calculated quantities that are not part of thermodynamic or
dump file output.
</P>
<HR>
<A
NAME =
"Cornell"
></A>
...
...
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Click to expand it.
doc/Section_howto.txt
+
14
−
8
View file @
ed3aa9dc
...
...
@@ -798,11 +798,10 @@ at a specified frequency. A simulation prints one set of
thermodynamic output; it may generate zero, or one, or multiple dump
files. LAMMPS gives you a variety of ways to determine what
quantities are computed and printed when thermodynamic info or dump
files are output. There are also two fixes which perform time and
spatial averaging of user-defined quantities, "fix
ave/time"_fix_ave_time.html and "fix
ave/spatial"_fix_ave_spatial.html. These produce their own output
files and are described below.
files are output. There are also three fixes which do their own
output of user-defined quantities: "fix ave/time"_fix_ave_time.html
for time averaging, "fix ave/spatial"_fix_ave_spatial.html for spatial
averaging, and "fix print"_fix_print.html. These are described below.
The frequency and format of thermodynamic output is set by the
"thermo"_thermo.html, "thermo_style"_thermo_style.html, and
...
...
@@ -880,9 +879,9 @@ These per-atom fix values are accessed by the "dump custom"_dump.html
command as f_myKE for a scalar per-atom quantity or as f_myStress\[2\]
for a component of a vector per-atom quantity.
T
wo
other fixes are of particular note for output: "fix
ave/time"_fix_ave_time.html
and "fix
a
ve/spatial"_fix_ave_spatial
.html.
T
hree
other fixes are of particular note for output: "fix
ave/time"_fix_ave_time.html
, "fix ave/spatial"_fix_ave_spatial.html,
a
nd "fix print"_fix_print
.html.
The "fix ave/time"_fix_ave_time.html command enables time-averaging of
global quantities like temperature or pressure. The global quantities
...
...
@@ -903,6 +902,13 @@ average of a spatial average of a time-averaged per-atom quantity.
The time-averaged values generated by "fix
ave/spatial"_fix_ave_spatial.html are written directly to a file.
The "fix print"_fix_print.html command can generate a line of output
written to the screen and log file periodically during a running
simulation. Since the line can contain one or more
"variable"_variable.html quantities, this command is a means to output
desired calculated quantities that are not part of thermodynamic or
dump file output.
:line
:link(Cornell)
...
...
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