forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11997 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
db0cac35a2
commit
65e0020948
|
|
@ -1,5 +1,5 @@
|
|||
<HTML>
|
||||
<CENTER><A HREF = "Section_tools.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> -
|
||||
<CENTER> <A HREF = "Section_tools.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> -
|
||||
<A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_python.html">Next
|
||||
Section</A>
|
||||
</CENTER>
|
||||
|
|
@ -647,6 +647,11 @@ which is the simplest way to have your contribution quickly added to
|
|||
the LAMMPS distribution. You can see a list of the both standard and
|
||||
user packages by typing "make package" in the LAMMPS src directory.
|
||||
</P>
|
||||
<P>Note that by providing us the files to release you are agreeing to
|
||||
make them open-source, i.e. that we can release them under the terms
|
||||
of the GPL used as a license for the rest of LAMMPS. See <A HREF = "Section_intro.html#intro_4">Section
|
||||
1.4</A> for details.
|
||||
</P>
|
||||
<P>With user packages and files, all we are really providing (aside from
|
||||
the fame and fortune that accompanies having your name in the source
|
||||
code and on the <A HREF = "http://lammps.sandia.gov/authors.html">Authors page</A>
|
||||
|
|
@ -684,46 +689,79 @@ the code accesses data structures, performs its operations, and is
|
|||
formatted similar to other LAMMPS source files, including the use of
|
||||
the error class for error and warning messages.
|
||||
|
||||
<LI>If your contribution is a single file (actually a *.cpp and *.h file)
|
||||
it can most rapidly be added to the USER-MISC directory. Send us the
|
||||
one-line entry to add to the USER-MISC/README file in that dir, along
|
||||
with the 2 source files. You can do this multiple times if you wish
|
||||
to contribute several individual features.
|
||||
<LI>If you want your contribution to be added as a user-contributed
|
||||
feature, and it's a single file (actually a *.cpp and *.h file) it can
|
||||
rapidly be added to the USER-MISC directory. Send us the one-line
|
||||
entry to add to the USER-MISC/README file in that dir, along with the
|
||||
2 source files. You can do this multiple times if you wish to
|
||||
contribute several individual features.
|
||||
|
||||
<LI>If your contribution is several related featues, it is probably best
|
||||
to make it a user package directory with a name like USER-FOO. In
|
||||
addition to your new files, the directory should contain a README, and
|
||||
Install.csh file. The README text file should contain your name and
|
||||
contact information and a brief description of what your new package
|
||||
does. The Install.csh file enables LAMMPS to include and exclude your
|
||||
package. See other README and Install.sh files in other USER
|
||||
directories as examples. Send us a tarball of this USER-FOO
|
||||
directory.
|
||||
<LI>If you want your contribution to be added as a user-contribution and
|
||||
it is several related featues, it is probably best to make it a user
|
||||
package directory with a name like USER-FOO. In addition to your new
|
||||
files, the directory should contain a README text file. The README
|
||||
should contain your name and contact information and a brief
|
||||
description of what your new package does. If your files depend on
|
||||
other LAMMPS style files also being installed (e.g. because your file
|
||||
is a derived class from the other LAMMPS class), then an Install.sh
|
||||
file is also needed to check for those dependencies. See other README
|
||||
and Install.sh files in other USER directories as examples. Send us a
|
||||
tarball of this USER-FOO directory.
|
||||
|
||||
<LI>Your new source files need to have the LAMMPS copyright, GPL notice,
|
||||
and your name at the top, like other LAMMPS source files. They need
|
||||
to create a class that is inside the LAMMPS namespace. If the file is
|
||||
for one of the USER packages, including USER-MISC, then we are not as
|
||||
picky about the coding style (see above). I.e. they do not need to be
|
||||
in the same stylistic format and syntax as other LAMMPS files, though
|
||||
that would be nice.
|
||||
and your name and email address at the top, like other
|
||||
user-contributed LAMMPS source files. They need to create a class
|
||||
that is inside the LAMMPS namespace. If the file is for one of the
|
||||
USER packages, including USER-MISC, then we are not as picky about the
|
||||
coding style (see above). I.e. the files do not need to be in the
|
||||
same stylistic format and syntax as other LAMMPS files, though that
|
||||
would be nice for developers as well as users who try to read your
|
||||
code.
|
||||
|
||||
<LI>Finally, you must also send a documentation file for each new command
|
||||
or style you are adding to LAMMPS. This will be one file for a
|
||||
<LI>You must also create a documentation file for each new command or
|
||||
style you are adding to LAMMPS. This will be one file for a
|
||||
single-file feature. For a package, it might be several files. These
|
||||
are simple text files which we will convert to HTML. They must be in
|
||||
the same format as other *.txt files in the lammps/doc directory for
|
||||
similar commands and styles. The "Restrictions" section of the doc
|
||||
page should indicate that your command is only available if LAMMPS is
|
||||
built with the appropriate USER-MISC or USER-FOO package. See other
|
||||
user package doc files for an example of how to do this. The txt2html
|
||||
tool we use to do the conversion can be downloaded from <A HREF = "http://www.sandia.gov/~sjplimp/download.html">this
|
||||
are simple text files which we auto-convert to HTML. Thus they must
|
||||
be in the same format as other *.txt files in the lammps/doc directory
|
||||
for similar commands and styles. As appropriate, the text files can
|
||||
includelinks to equations (see doc/Eqs/*.tex for examples, we
|
||||
auto-create the associated JPG files), or figures (see doc/JPG for
|
||||
examples), or even additional PDF files with further details (see
|
||||
doc/PDF for examples). The doc page should also include literature
|
||||
citations; see the bottom of doc/fix_nh.txt for examples and the
|
||||
earlier part of the same file for examples of how to format the cite.
|
||||
The "Restrictions" section of the doc page should indicate that your
|
||||
command is only available if LAMMPS is built with the appropriate
|
||||
USER-MISC or USER-FOO package. See other user package doc files for
|
||||
an example of how to do this. The txt2html tool we use to do the
|
||||
conversion can be downloaded from <A HREF = "http://www.sandia.gov/~sjplimp/download.html">this
|
||||
site</A>, so you can perform
|
||||
the HTML conversion yourself to proofread your doc page.
|
||||
the HTML conversion yourself to proofread your doc page.
|
||||
|
||||
<LI>For a new package (or even a single command) you can include one or
|
||||
more example scripts. These should run in no more than 1 minute, even
|
||||
on a single processor, and not require large data files as input. See
|
||||
directories under examples/USER for examples of user-provided input
|
||||
scripts for their packages.
|
||||
|
||||
<LI>If there is a paper of yours describing your feature (either the
|
||||
algorithm/science behind the feature itself, or its implementation in
|
||||
LAMMPS), you can add the citation to the *.cpp source file. See
|
||||
src/USER-EFF/atom_vec_electron.cpp for an example. A LaTeX citation
|
||||
is stored in a variable at the top of the file and a single line of
|
||||
code that references the variable is added to the constructor of the
|
||||
class. This will cause LAMMPS to output the citation to a log.cite
|
||||
file and issue a prompt to examine the file, whenever a user inovkes
|
||||
your feature from their input script. Note that you should only use
|
||||
this for a paper you or your group authored. Adding a cite in the
|
||||
code for a paper by Nose and Hoover if you write a fix that implements
|
||||
their integrator is not the intended usage. That kind of citation
|
||||
should just be in the doc page you provide.
|
||||
</UL>
|
||||
<P>Note that the more clear and self-explanatory you make your doc and
|
||||
README files, the more likely it is that users will try out your new
|
||||
feature.
|
||||
<P>Finally, as a general rule-of-thumb, the more clear and
|
||||
self-explanatory you make your doc and README files, and the easier
|
||||
you make it for people to get started, e.g. by providing example
|
||||
scripts, the more likely it is that users will try your new feature.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
"Previous Section"_Section_tools.html - "LAMMPS WWW Site"_lws -
|
||||
"Previous Section"_Section_tools.html - "LAMMPS WWW Site"_lws -
|
||||
"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
|
||||
Section"_Section_python.html :c
|
||||
|
||||
|
|
@ -621,6 +621,11 @@ which is the simplest way to have your contribution quickly added to
|
|||
the LAMMPS distribution. You can see a list of the both standard and
|
||||
user packages by typing "make package" in the LAMMPS src directory.
|
||||
|
||||
Note that by providing us the files to release you are agreeing to
|
||||
make them open-source, i.e. that we can release them under the terms
|
||||
of the GPL used as a license for the rest of LAMMPS. See "Section
|
||||
1.4"_Section_intro.html#intro_4 for details.
|
||||
|
||||
With user packages and files, all we are really providing (aside from
|
||||
the fame and fortune that accompanies having your name in the source
|
||||
code and on the "Authors page"_http://lammps.sandia.gov/authors.html
|
||||
|
|
@ -658,46 +663,79 @@ the code accesses data structures, performs its operations, and is
|
|||
formatted similar to other LAMMPS source files, including the use of
|
||||
the error class for error and warning messages. :l
|
||||
|
||||
If your contribution is a single file (actually a *.cpp and *.h file)
|
||||
it can most rapidly be added to the USER-MISC directory. Send us the
|
||||
one-line entry to add to the USER-MISC/README file in that dir, along
|
||||
with the 2 source files. You can do this multiple times if you wish
|
||||
to contribute several individual features. :l
|
||||
If you want your contribution to be added as a user-contributed
|
||||
feature, and it's a single file (actually a *.cpp and *.h file) it can
|
||||
rapidly be added to the USER-MISC directory. Send us the one-line
|
||||
entry to add to the USER-MISC/README file in that dir, along with the
|
||||
2 source files. You can do this multiple times if you wish to
|
||||
contribute several individual features. :l
|
||||
|
||||
If your contribution is several related featues, it is probably best
|
||||
to make it a user package directory with a name like USER-FOO. In
|
||||
addition to your new files, the directory should contain a README, and
|
||||
Install.csh file. The README text file should contain your name and
|
||||
contact information and a brief description of what your new package
|
||||
does. The Install.csh file enables LAMMPS to include and exclude your
|
||||
package. See other README and Install.sh files in other USER
|
||||
directories as examples. Send us a tarball of this USER-FOO
|
||||
directory. :l
|
||||
If you want your contribution to be added as a user-contribution and
|
||||
it is several related featues, it is probably best to make it a user
|
||||
package directory with a name like USER-FOO. In addition to your new
|
||||
files, the directory should contain a README text file. The README
|
||||
should contain your name and contact information and a brief
|
||||
description of what your new package does. If your files depend on
|
||||
other LAMMPS style files also being installed (e.g. because your file
|
||||
is a derived class from the other LAMMPS class), then an Install.sh
|
||||
file is also needed to check for those dependencies. See other README
|
||||
and Install.sh files in other USER directories as examples. Send us a
|
||||
tarball of this USER-FOO directory. :l
|
||||
|
||||
Your new source files need to have the LAMMPS copyright, GPL notice,
|
||||
and your name at the top, like other LAMMPS source files. They need
|
||||
to create a class that is inside the LAMMPS namespace. If the file is
|
||||
for one of the USER packages, including USER-MISC, then we are not as
|
||||
picky about the coding style (see above). I.e. they do not need to be
|
||||
in the same stylistic format and syntax as other LAMMPS files, though
|
||||
that would be nice. :l
|
||||
and your name and email address at the top, like other
|
||||
user-contributed LAMMPS source files. They need to create a class
|
||||
that is inside the LAMMPS namespace. If the file is for one of the
|
||||
USER packages, including USER-MISC, then we are not as picky about the
|
||||
coding style (see above). I.e. the files do not need to be in the
|
||||
same stylistic format and syntax as other LAMMPS files, though that
|
||||
would be nice for developers as well as users who try to read your
|
||||
code. :l
|
||||
|
||||
Finally, you must also send a documentation file for each new command
|
||||
or style you are adding to LAMMPS. This will be one file for a
|
||||
You must also create a documentation file for each new command or
|
||||
style you are adding to LAMMPS. This will be one file for a
|
||||
single-file feature. For a package, it might be several files. These
|
||||
are simple text files which we will convert to HTML. They must be in
|
||||
the same format as other *.txt files in the lammps/doc directory for
|
||||
similar commands and styles. The "Restrictions" section of the doc
|
||||
page should indicate that your command is only available if LAMMPS is
|
||||
built with the appropriate USER-MISC or USER-FOO package. See other
|
||||
user package doc files for an example of how to do this. The txt2html
|
||||
tool we use to do the conversion can be downloaded from "this
|
||||
are simple text files which we auto-convert to HTML. Thus they must
|
||||
be in the same format as other *.txt files in the lammps/doc directory
|
||||
for similar commands and styles. As appropriate, the text files can
|
||||
includelinks to equations (see doc/Eqs/*.tex for examples, we
|
||||
auto-create the associated JPG files), or figures (see doc/JPG for
|
||||
examples), or even additional PDF files with further details (see
|
||||
doc/PDF for examples). The doc page should also include literature
|
||||
citations; see the bottom of doc/fix_nh.txt for examples and the
|
||||
earlier part of the same file for examples of how to format the cite.
|
||||
The "Restrictions" section of the doc page should indicate that your
|
||||
command is only available if LAMMPS is built with the appropriate
|
||||
USER-MISC or USER-FOO package. See other user package doc files for
|
||||
an example of how to do this. The txt2html tool we use to do the
|
||||
conversion can be downloaded from "this
|
||||
site"_http://www.sandia.gov/~sjplimp/download.html, so you can perform
|
||||
the HTML conversion yourself to proofread your doc page. :l,ule
|
||||
the HTML conversion yourself to proofread your doc page. :l
|
||||
|
||||
Note that the more clear and self-explanatory you make your doc and
|
||||
README files, the more likely it is that users will try out your new
|
||||
feature.
|
||||
For a new package (or even a single command) you can include one or
|
||||
more example scripts. These should run in no more than 1 minute, even
|
||||
on a single processor, and not require large data files as input. See
|
||||
directories under examples/USER for examples of user-provided input
|
||||
scripts for their packages. :l
|
||||
|
||||
If there is a paper of yours describing your feature (either the
|
||||
algorithm/science behind the feature itself, or its implementation in
|
||||
LAMMPS), you can add the citation to the *.cpp source file. See
|
||||
src/USER-EFF/atom_vec_electron.cpp for an example. A LaTeX citation
|
||||
is stored in a variable at the top of the file and a single line of
|
||||
code that references the variable is added to the constructor of the
|
||||
class. This will cause LAMMPS to output the citation to a log.cite
|
||||
file and issue a prompt to examine the file, whenever a user inovkes
|
||||
your feature from their input script. Note that you should only use
|
||||
this for a paper you or your group authored. Adding a cite in the
|
||||
code for a paper by Nose and Hoover if you write a fix that implements
|
||||
their integrator is not the intended usage. That kind of citation
|
||||
should just be in the doc page you provide. :l,ule
|
||||
|
||||
Finally, as a general rule-of-thumb, the more clear and
|
||||
self-explanatory you make your doc and README files, and the easier
|
||||
you make it for people to get started, e.g. by providing example
|
||||
scripts, the more likely it is that users will try your new feature.
|
||||
|
||||
:line
|
||||
:line
|
||||
|
|
|
|||
|
|
@ -89,7 +89,7 @@ dump m2 all movie 100 movie.m4v type type zoom 1.8 adiam v_value size 1280 720
|
|||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>Dump a high-quality rendered image of the atom configuration every N
|
||||
timesteps and save the images either as a sequence of JPG or PNG, or
|
||||
timesteps and save the images either as a sequence of JPEG or PNG or
|
||||
PPM files, or as a single movie file. The options for this command as
|
||||
well as the <A HREF = "dump_modify.html">dump_modify</A> command control what is
|
||||
included in the image or movie and how it appears. A series of such
|
||||
|
|
@ -105,8 +105,8 @@ has been run, using the <A HREF = "rerun.html">rerun</A> command to read snapsho
|
|||
from an existing dump file, and using these dump commands in the rerun
|
||||
script to generate the images/movie.
|
||||
</P>
|
||||
<P>Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
||||
see the full-size images:
|
||||
<P>Here are two sample images, rendered as 1024x1024 JPEG files. Click
|
||||
to see the full-size images:
|
||||
</P>
|
||||
<DIV ALIGN=center>
|
||||
|
||||
|
|
@ -120,14 +120,14 @@ see the full-size images:
|
|||
<A HREF = "dump_modify.html">dump_modify region and thresh</A> commands can also
|
||||
alter what atoms are included in the image.</P>
|
||||
<P>The filename suffix determines whether a JPEG, PNG, or PPM file is
|
||||
created with the <I>image</I> dump style. If the suffix is ".jpg" or ".jpeg",
|
||||
then a JPEG format file is created, if the suffix is ".png", then a PNG
|
||||
format is created, else a PPM (aka NETPBM) format file is created.
|
||||
The JPG and PNG files are binary; PPM has a text mode header followed
|
||||
by binary data. JPG images have lossy compression; PNG has lossless
|
||||
compression; and PPM files are uncompressed but can be compressed with
|
||||
gzip, if LAMMPS has been compiled with -DLAMMPS_GZIP and a ".gz" suffix
|
||||
is used.
|
||||
created with the <I>image</I> dump style. If the suffix is ".jpg" or
|
||||
".jpeg", then a JPEG format file is created, if the suffix is ".png",
|
||||
then a PNG format is created, else a PPM (aka NETPBM) format file is
|
||||
created. The JPEG and PNG files are binary; PPM has a text mode
|
||||
header followed by binary data. JPEG images have lossy compression;
|
||||
PNG has lossless compression; and PPM files are uncompressed but can
|
||||
be compressed with gzip, if LAMMPS has been compiled with
|
||||
-DLAMMPS_GZIP and a ".gz" suffix is used.
|
||||
</P>
|
||||
<P>Similarly, the format of the resulting movie is chosen with the
|
||||
<I>movie</I> dump style. This is handled by the underlying FFmpeg converter
|
||||
|
|
@ -405,14 +405,15 @@ shading is performed.
|
|||
</P>
|
||||
<HR>
|
||||
|
||||
<P>A series of JPG, PNG, or PPM images can be converted into a movie file
|
||||
and then played as a movie using commonly available tools. Using dump
|
||||
style <I>movie</I> automates this step and avoids the intermediate step of
|
||||
writing (many) image snapshot file. But LAMMPS has to be compiled with
|
||||
-DLAMMPS_FFMPEG and an FFmpeg executable have to be installed.
|
||||
<P>A series of JPEG, PNG, or PPM images can be converted into a movie
|
||||
file and then played as a movie using commonly available tools. Using
|
||||
dump style <I>movie</I> automates this step and avoids the intermediate
|
||||
step of writing (many) image snapshot file. But LAMMPS has to be
|
||||
compiled with -DLAMMPS_FFMPEG and an FFmpeg executable have to be
|
||||
installed.
|
||||
</P>
|
||||
<P>To manually convert JPG, PNG or PPM files into an animated GIF or MPEG
|
||||
or other movie file you can use:
|
||||
<P>To manually convert JPEG, PNG or PPM files into an animated GIF or
|
||||
MPEG or other movie file you can use:
|
||||
</P>
|
||||
<UL><LI>a) Use the ImageMagick convert program.
|
||||
|
||||
|
|
@ -486,7 +487,7 @@ per-atom quantities which could then be output into dump files.
|
|||
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>To write JPG images, you must use the -DLAMMPS_JPEG switch when
|
||||
<P>To write JPEG images, you must use the -DLAMMPS_JPEG switch when
|
||||
building LAMMPS and link with a JPEG library. To write PNG images, you
|
||||
must use the -DLAMMPS_PNG switch when building LAMMPS and link with a
|
||||
PNG library.
|
||||
|
|
|
|||
|
|
@ -75,7 +75,7 @@ dump m2 all movie 100 movie.m4v type type zoom 1.8 adiam v_value size 1280 720 :
|
|||
[Description:]
|
||||
|
||||
Dump a high-quality rendered image of the atom configuration every N
|
||||
timesteps and save the images either as a sequence of JPG or PNG, or
|
||||
timesteps and save the images either as a sequence of JPEG or PNG or
|
||||
PPM files, or as a single movie file. The options for this command as
|
||||
well as the "dump_modify"_dump_modify.html command control what is
|
||||
included in the image or movie and how it appears. A series of such
|
||||
|
|
@ -91,8 +91,8 @@ has been run, using the "rerun"_rerun.html command to read snapshots
|
|||
from an existing dump file, and using these dump commands in the rerun
|
||||
script to generate the images/movie.
|
||||
|
||||
Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
||||
see the full-size images:
|
||||
Here are two sample images, rendered as 1024x1024 JPEG files. Click
|
||||
to see the full-size images:
|
||||
|
||||
<DIV ALIGN=center>
|
||||
|
||||
|
|
@ -106,14 +106,14 @@ Only atoms in the specified group are rendered in the image. The
|
|||
alter what atoms are included in the image.\
|
||||
|
||||
The filename suffix determines whether a JPEG, PNG, or PPM file is
|
||||
created with the {image} dump style. If the suffix is ".jpg" or ".jpeg",
|
||||
then a JPEG format file is created, if the suffix is ".png", then a PNG
|
||||
format is created, else a PPM (aka NETPBM) format file is created.
|
||||
The JPG and PNG files are binary; PPM has a text mode header followed
|
||||
by binary data. JPG images have lossy compression; PNG has lossless
|
||||
compression; and PPM files are uncompressed but can be compressed with
|
||||
gzip, if LAMMPS has been compiled with -DLAMMPS_GZIP and a ".gz" suffix
|
||||
is used.
|
||||
created with the {image} dump style. If the suffix is ".jpg" or
|
||||
".jpeg", then a JPEG format file is created, if the suffix is ".png",
|
||||
then a PNG format is created, else a PPM (aka NETPBM) format file is
|
||||
created. The JPEG and PNG files are binary; PPM has a text mode
|
||||
header followed by binary data. JPEG images have lossy compression;
|
||||
PNG has lossless compression; and PPM files are uncompressed but can
|
||||
be compressed with gzip, if LAMMPS has been compiled with
|
||||
-DLAMMPS_GZIP and a ".gz" suffix is used.
|
||||
|
||||
Similarly, the format of the resulting movie is chosen with the
|
||||
{movie} dump style. This is handled by the underlying FFmpeg converter
|
||||
|
|
@ -391,14 +391,15 @@ shading is performed.
|
|||
|
||||
:line
|
||||
|
||||
A series of JPG, PNG, or PPM images can be converted into a movie file
|
||||
and then played as a movie using commonly available tools. Using dump
|
||||
style {movie} automates this step and avoids the intermediate step of
|
||||
writing (many) image snapshot file. But LAMMPS has to be compiled with
|
||||
-DLAMMPS_FFMPEG and an FFmpeg executable have to be installed.
|
||||
A series of JPEG, PNG, or PPM images can be converted into a movie
|
||||
file and then played as a movie using commonly available tools. Using
|
||||
dump style {movie} automates this step and avoids the intermediate
|
||||
step of writing (many) image snapshot file. But LAMMPS has to be
|
||||
compiled with -DLAMMPS_FFMPEG and an FFmpeg executable have to be
|
||||
installed.
|
||||
|
||||
To manually convert JPG, PNG or PPM files into an animated GIF or MPEG
|
||||
or other movie file you can use:
|
||||
To manually convert JPEG, PNG or PPM files into an animated GIF or
|
||||
MPEG or other movie file you can use:
|
||||
|
||||
a) Use the ImageMagick convert program. :ulb,l
|
||||
|
||||
|
|
@ -472,7 +473,7 @@ per-atom quantities which could then be output into dump files.
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
To write JPG images, you must use the -DLAMMPS_JPEG switch when
|
||||
To write JPEG images, you must use the -DLAMMPS_JPEG switch when
|
||||
building LAMMPS and link with a JPEG library. To write PNG images, you
|
||||
must use the -DLAMMPS_PNG switch when building LAMMPS and link with a
|
||||
PNG library.
|
||||
|
|
|
|||
|
|
@ -49,7 +49,7 @@
|
|||
numbers = 0.0, 100, -5.4, 2.8e-4, etc
|
||||
constants = PI
|
||||
thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
|
||||
math operators = (), -x, x+y, x-y, x*y, x/y, x^y,
|
||||
math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
|
||||
x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x
|
||||
math functions = sqrt(x), exp(x), ln(x), log(x), abs(x),
|
||||
sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
|
||||
|
|
@ -368,7 +368,7 @@ references to other variables.
|
|||
<TR><TD >Number</TD><TD > 0.2, 100, 1.0e20, -15.4, etc</TD></TR>
|
||||
<TR><TD >Constant</TD><TD > PI</TD></TR>
|
||||
<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
|
||||
<TR><TD >Math operators</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x</TD></TR>
|
||||
<TR><TD >Math operators</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, x%y, x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x</TD></TR>
|
||||
<TR><TD >Math functions</TD><TD > sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)</TD></TR>
|
||||
<TR><TD >Group functions</TD><TD > count(ID), mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID), ke(ID), angmom(ID,dim), torque(ID,dim), inertia(ID,dimdim), omega(ID,dim)</TD></TR>
|
||||
<TR><TD >Region functions</TD><TD > count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), torque(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR)</TD></TR>
|
||||
|
|
@ -428,13 +428,13 @@ vectors of y and z velocities.
|
|||
<P>Operators are evaluated left to right and have the usual C-style
|
||||
precedence: unary minus and unary logical NOT operator "!" have the
|
||||
highest precedence, exponentiation "^" is next; multiplication and
|
||||
division are next; addition and subtraction are next; the 4 relational
|
||||
operators "<", "<=", ">", and ">=" are next; the two remaining
|
||||
relational operators "==" and "!=" are next; then the logical AND
|
||||
operator "&&"; and finally the logical OR operator "||" has the lowest
|
||||
precedence. Parenthesis can be used to group one or more portions of
|
||||
a formula and/or enforce a different order of evaluation than what
|
||||
would occur with the default precedence.
|
||||
division and the modulo operator "%" are next; addition and
|
||||
subtraction are next; the 4 relational operators "<", "<=", ">", and
|
||||
">=" are next; the two remaining relational operators "==" and "!="
|
||||
are next; then the logical AND operator "&&"; and finally the logical
|
||||
OR operator "||" has the lowest precedence. Parenthesis can be used
|
||||
to group one or more portions of a formula and/or enforce a different
|
||||
order of evaluation than what would occur with the default precedence.
|
||||
</P>
|
||||
<P>IMPORTANT NOTE: Because a unary minus is higher precedence than
|
||||
exponentiation, the formula "-2^2" will evaluate to 4, not -4. This
|
||||
|
|
|
|||
|
|
@ -44,7 +44,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
|
|||
numbers = 0.0, 100, -5.4, 2.8e-4, etc
|
||||
constants = PI
|
||||
thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
|
||||
math operators = (), -x, x+y, x-y, x*y, x/y, x^y,
|
||||
math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
|
||||
x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x
|
||||
math functions = sqrt(x), exp(x), ln(x), log(x), abs(x),
|
||||
sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
|
||||
|
|
@ -361,7 +361,7 @@ references to other variables.
|
|||
Number: 0.2, 100, 1.0e20, -15.4, etc
|
||||
Constant: PI
|
||||
Thermo keywords: vol, pe, ebond, etc
|
||||
Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x
|
||||
Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x%y, x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y, !x
|
||||
Math functions: sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
|
||||
Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \
|
||||
vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \
|
||||
|
|
@ -428,13 +428,13 @@ vectors of y and z velocities.
|
|||
Operators are evaluated left to right and have the usual C-style
|
||||
precedence: unary minus and unary logical NOT operator "!" have the
|
||||
highest precedence, exponentiation "^" is next; multiplication and
|
||||
division are next; addition and subtraction are next; the 4 relational
|
||||
operators "<", "<=", ">", and ">=" are next; the two remaining
|
||||
relational operators "==" and "!=" are next; then the logical AND
|
||||
operator "&&"; and finally the logical OR operator "||" has the lowest
|
||||
precedence. Parenthesis can be used to group one or more portions of
|
||||
a formula and/or enforce a different order of evaluation than what
|
||||
would occur with the default precedence.
|
||||
division and the modulo operator "%" are next; addition and
|
||||
subtraction are next; the 4 relational operators "<", "<=", ">", and
|
||||
">=" are next; the two remaining relational operators "==" and "!="
|
||||
are next; then the logical AND operator "&&"; and finally the logical
|
||||
OR operator "||" has the lowest precedence. Parenthesis can be used
|
||||
to group one or more portions of a formula and/or enforce a different
|
||||
order of evaluation than what would occur with the default precedence.
|
||||
|
||||
IMPORTANT NOTE: Because a unary minus is higher precedence than
|
||||
exponentiation, the formula "-2^2" will evaluate to 4, not -4. This
|
||||
|
|
|
|||
Loading…
Reference in New Issue