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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5455 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2011-01-04 19:00:12 +00:00
parent 80b1bf4652
commit f3300e9536
2 changed files with 28 additions and 10 deletions
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19
doc/thermo_modify.html
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@ -100,10 +100,19 @@ the <I>one</I> and <I>multi</I> thermo_style settings.
<P>The <I>format</I> keyword sets the numeric format of individual printed
quantities. The <I>int</I> and <I>float</I> keywords set the format for all
integer or floating-point quantities printed. The setting with a
numeric value (e.g. format 5 %10.4g) sets the format of the Mth value
printed in each output line, the 5th column of output in this case.
If the format for a specific column has been set, it will take
precedent over the <I>int</I> or <I>float</I> setting.
numeric value M (e.g. format 5 %10.4g) sets the format of the Mth
value printed in each output line, e.g. the 5th column of output in
this case. If the format for a specific column has been set, it will
take precedent over the <I>int</I> or <I>float</I> setting.
</P>
<P>IMPORTANT NOTE: The thermo output values <I>step</I> and <I>atoms</I> are stored
internally as 8-byte unsigned integers, rather than the usual 4-byte
signed integers. When specifying the "format int" keyword you can use
a "%d"-style format identifier in the format string and LAMMPS will
convert this to the corresponding "%lu" form when it is applied to
those keywords. However, when specifying the "format M string"
keyword for <I>step</I> and <I>natoms</I>, you should specify a string
appropriate for an 8-byte unsigned integer, e.g. one with "%lu".
</P>
<P>The <I>temp</I> keyword is used to determine how thermodynamic temperature
is calculated, which is used by all thermo quantities that require a
@ -176,7 +185,7 @@ temp/press = compute IDs defined by thermo_style, every = non-variable
setting provided by the <A HREF = "thermo.html">thermo</A> command.
</P>
<P>The defaults for the line and format options depend on the thermo
style. For styles "one" and and "custom" the line and format defaults
style. For styles "one" and "custom", the line and format defaults
are "one", "%8d", and "%12.8g". For style "multi", the line and
format defaults are "multi", "%8d", and "%14.4f".
</P>

19
doc/thermo_modify.txt
View File

@ -94,10 +94,19 @@ the {one} and {multi} thermo_style settings.
The {format} keyword sets the numeric format of individual printed
quantities. The {int} and {float} keywords set the format for all
integer or floating-point quantities printed. The setting with a
numeric value (e.g. format 5 %10.4g) sets the format of the Mth value
printed in each output line, the 5th column of output in this case.
If the format for a specific column has been set, it will take
precedent over the {int} or {float} setting.
numeric value M (e.g. format 5 %10.4g) sets the format of the Mth
value printed in each output line, e.g. the 5th column of output in
this case. If the format for a specific column has been set, it will
take precedent over the {int} or {float} setting.
IMPORTANT NOTE: The thermo output values {step} and {atoms} are stored
internally as 8-byte unsigned integers, rather than the usual 4-byte
signed integers. When specifying the "format int" keyword you can use
a "%d"-style format identifier in the format string and LAMMPS will
convert this to the corresponding "%lu" form when it is applied to
those keywords. However, when specifying the "format M string"
keyword for {step} and {natoms}, you should specify a string
appropriate for an 8-byte unsigned integer, e.g. one with "%lu".
The {temp} keyword is used to determine how thermodynamic temperature
is calculated, which is used by all thermo quantities that require a
@ -170,6 +179,6 @@ temp/press = compute IDs defined by thermo_style, every = non-variable
setting provided by the "thermo"_thermo.html command.
The defaults for the line and format options depend on the thermo
style. For styles "one" and and "custom" the line and format defaults
style. For styles "one" and "custom", the line and format defaults
are "one", "%8d", and "%12.8g". For style "multi", the line and
format defaults are "multi", "%8d", and "%14.4f".