git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8323 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-06-19 14:10:51 +00:00
parent 20f60d7472
commit 7fe9d10362
8 changed files with 48 additions and 8 deletions

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@ -37,7 +37,7 @@
</PRE>
<LI>zero or more keyword/arg pairs may be appended
<LI>keyword = <I>type</I> or <I>ave</I> or <I>start</I> or <I>prefactor</I> or <I>file</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<LI>keyword = <I>type</I> or <I>ave</I> or <I>start</I> or <I>prefactor</I> or <I>file</I> or <I>overwrite</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<PRE> <I>type</I> arg = <I>auto</I> or <I>upper</I> or <I>lower</I> or <I>auto/upper</I> or <I>auto/lower</I> or <I>full</I>
auto = correlate each value with itself
@ -55,6 +55,7 @@
value = prefactor to scale all the correlation data by
<I>file</I> arg = filename
filename = name of file to output correlation data to
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -245,6 +246,10 @@ number of rows is <I>Nrepeat</I>, as described above. The number of
columns is the Npair+2, also as described above. Thus the file ends
up to be a series of these array sections.
</P>
<P>The <I>overwrite</I> keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the <I>file</I> keyword was used. LAMMPS uses default

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@ -26,7 +26,7 @@ value = c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :l
v_name = global value calculated by an equal-style variable with name :pre
zero or more keyword/arg pairs may be appended :l
keyword = {type} or {ave} or {start} or {prefactor} or {file} or {title1} or {title2} or {title3} :l
keyword = {type} or {ave} or {start} or {prefactor} or {file} or {overwrite} or {title1} or {title2} or {title3} :l
{type} arg = {auto} or {upper} or {lower} or {auto/upper} or {auto/lower} or {full}
auto = correlate each value with itself
upper = correlate each value with each succeeding value
@ -43,6 +43,7 @@ keyword = {type} or {ave} or {start} or {prefactor} or {file} or {title1} or {ti
value = prefactor to scale all the correlation data by
{file} arg = filename
filename = name of file to output correlation data to
{overwrite} arg = none = overwrite output file with only latest output
{title1} arg = string
string = text to print as 1st line of output file
{title2} arg = string
@ -232,6 +233,10 @@ number of rows is {Nrepeat}, as described above. The number of
columns is the Npair+2, also as described above. Thus the file ends
up to be a series of these array sections.
The {overwrite} keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the {ave running} setting.
The {title1} and {title2} and {title3} keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the {file} keyword was used. LAMMPS uses default

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@ -42,7 +42,7 @@
</PRE>
<LI>zero or more keyword/arg pairs may be appended
<LI>keyword = <I>mode</I> or <I>file</I> or <I>ave</I> or <I>start</I> or <I>beyond</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<LI>keyword = <I>mode</I> or <I>file</I> or <I>ave</I> or <I>start</I> or <I>beyond</I> or <I>overwrite</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<PRE> <I>mode</I> arg = <I>scalar</I> or <I>vector</I>
scalar = all input values are scalars
@ -59,6 +59,7 @@
ignore = ignore values outside histogram lo/hi bounds
end = count values outside histogram lo/hi bounds in end bins
extra = create 2 extra bins for value outside histogram lo/hi bounds
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -266,6 +267,10 @@ normalized count is the bin count divided by the total count (not
including values not histogrammed), so that the normalized values sum
to 1.0 across all bins.
</P>
<P>The <I>overwrite</I> keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the <I>file</I> keyword was used. LAMMPS uses default

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@ -29,7 +29,7 @@ value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_nam
v_name = value(s) calculated by an equal-style or atom-style variable with name :pre
zero or more keyword/arg pairs may be appended :l
keyword = {mode} or {file} or {ave} or {start} or {beyond} or {title1} or {title2} or {title3} :l
keyword = {mode} or {file} or {ave} or {start} or {beyond} or {overwrite} or {title1} or {title2} or {title3} :l
{mode} arg = {scalar} or {vector}
scalar = all input values are scalars
vector = all input values are vectors
@ -45,6 +45,7 @@ keyword = {mode} or {file} or {ave} or {start} or {beyond} or {title1} or {title
ignore = ignore values outside histogram lo/hi bounds
end = count values outside histogram lo/hi bounds in end bins
extra = create 2 extra bins for value outside histogram lo/hi bounds
{overwrite} arg = none = overwrite output file with only latest output
{title1} arg = string
string = text to print as 1st line of output file
{title2} arg = string
@ -251,6 +252,10 @@ normalized count is the bin count divided by the total count (not
including values not histogrammed), so that the normalized values sum
to 1.0 across all bins.
The {overwrite} keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the {ave running} setting.
The {title1} and {title2} and {title3} keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the {file} keyword was used. LAMMPS uses default

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@ -45,7 +45,7 @@
</PRE>
<LI>zero or more keyword/arg pairs may be appended
<LI>keyword = <I>norm</I> or <I>units</I> or <I>file</I> or <I>ave</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<LI>keyword = <I>norm</I> or <I>units</I> or <I>file</I> or <I>ave</I> or <I>overwrite</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<PRE> <I>units</I> arg = <I>box</I> or <I>lattice</I> or <I>reduced</I>
<I>norm</I> arg = <I>all</I> or <I>sample</I>
@ -57,6 +57,7 @@
window M = output average of M most recent Nfreq steps
<I>file</I> arg = filename
filename = file to write results to
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -293,6 +294,10 @@ quantities. If the value of the <I>units</I> keyword is <I>box</I> or
<I>units</I> keyword is <I>reduced</I>, the "coord" is printed in reduced units
(0-1).
</P>
<P>The <I>overwrite</I> keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the <I>file</I> keyword was used. LAMMPS uses default

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@ -32,7 +32,7 @@ value = vx, vy, vz, fx, fy, fz, density/mass, density/number, c_ID, c_ID\[I\], f
v_name = per-atom vector calculated by an atom-style variable with name :pre
zero or more keyword/arg pairs may be appended :l
keyword = {norm} or {units} or {file} or {ave} or {title1} or {title2} or {title3} :l
keyword = {norm} or {units} or {file} or {ave} or {overwrite} or {title1} or {title2} or {title3} :l
{units} arg = {box} or {lattice} or {reduced}
{norm} arg = {all} or {sample}
{region} arg = region-ID
@ -43,6 +43,7 @@ keyword = {norm} or {units} or {file} or {ave} or {title1} or {title2} or {title
window M = output average of M most recent Nfreq steps
{file} arg = filename
filename = file to write results to
{overwrite} arg = none = overwrite output file with only latest output
{title1} arg = string
string = text to print as 1st line of output file
{title2} arg = string
@ -278,6 +279,10 @@ quantities. If the value of the {units} keyword is {box} or
{units} keyword is {reduced}, the "coord" is printed in reduced units
(0-1).
The {overwrite} keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the {ave running} setting.
The {title1} and {title2} and {title3} keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the {file} keyword was used. LAMMPS uses default

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@ -37,7 +37,7 @@
</PRE>
<LI>zero or more keyword/arg pairs may be appended
<LI>keyword = <I>mode</I> or <I>file</I> or <I>ave</I> or <I>start</I> or <I>off</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<LI>keyword = <I>mode</I> or <I>file</I> or <I>ave</I> or <I>start</I> or <I>off</I> or <I>overwrite</I> or <I>title1</I> or <I>title2</I> or <I>title3</I>
<PRE> <I>mode</I> arg = <I>scalar</I> or <I>vector</I>
scalar = all input values are global scalars
@ -52,6 +52,7 @@
M = value # from 1 to Nvalues
<I>file</I> arg = filename
filename = name of file to output time averages to
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -248,6 +249,10 @@ rows is the length of the input vectors, and the number of columns is
the number of values. Thus the file ends up to be a series of these
array sections.
</P>
<P>The <I>overwrite</I> keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 2 or 3 lines of the
output file, assuming the <I>file</I> keyword was used. LAMMPS uses

View File

@ -26,7 +26,7 @@ value = c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name :l
v_name = global value calculated by an equal-style variable with name :pre
zero or more keyword/arg pairs may be appended :l
keyword = {mode} or {file} or {ave} or {start} or {off} or {title1} or {title2} or {title3} :l
keyword = {mode} or {file} or {ave} or {start} or {off} or {overwrite} or {title1} or {title2} or {title3} :l
{mode} arg = {scalar} or {vector}
scalar = all input values are global scalars
vector = all input values are global vectors or global arrays
@ -40,6 +40,7 @@ keyword = {mode} or {file} or {ave} or {start} or {off} or {title1} or {title2}
M = value # from 1 to Nvalues
{file} arg = filename
filename = name of file to output time averages to
{overwrite} arg = none = overwrite output file with only latest output
{title1} arg = string
string = text to print as 1st line of output file
{title2} arg = string
@ -235,6 +236,10 @@ rows is the length of the input vectors, and the number of columns is
the number of values. Thus the file ends up to be a series of these
array sections.
The {overwrite} keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the {ave running} setting.
The {title1} and {title2} and {title3} keywords allow specification of
the strings that will be printed as the first 2 or 3 lines of the
output file, assuming the {file} keyword was used. LAMMPS uses