git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10893 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -86,9 +86,9 @@ as described in the next section.
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<P>Building LAMMPS can be non-trivial. You may need to edit a makefile,
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<P>Building LAMMPS can be non-trivial. You may need to edit a makefile,
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there are compiler options to consider, additional libraries can be
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there are compiler options to consider, additional libraries can be
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used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded,
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used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
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some of these packages use auxiliary libraries which need to be
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excluded, some of these packages use auxiliary libraries which need to
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pre-built, etc.
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be pre-built, etc.
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</P>
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</P>
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<P>Please read this section carefully. If you are not comfortable with
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<P>Please read this section carefully. If you are not comfortable with
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makefiles, or building codes on a Unix platform, or running an MPI job
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makefiles, or building codes on a Unix platform, or running an MPI job
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@ -188,6 +188,7 @@ within the LAMMPS code. The options that are currently recogized are:
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</P>
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</P>
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<UL><LI>-DLAMMPS_GZIP
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<UL><LI>-DLAMMPS_GZIP
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<LI>-DLAMMPS_JPEG
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<LI>-DLAMMPS_JPEG
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<LI>-DLAMMPS_PNG
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<LI>-DLAMMPS_MEMALIGN
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<LI>-DLAMMPS_MEMALIGN
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<LI>-DLAMMPS_XDR
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<LI>-DLAMMPS_XDR
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<LI>-DLAMMPS_SMALLBIG
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<LI>-DLAMMPS_SMALLBIG
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@ -203,9 +204,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
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"popen" command.
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"popen" command.
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</P>
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</P>
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<P>If you use -DLAMMPS_JPEG, the <A HREF = "dump.html">dump image</A> command will be
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<P>If you use -DLAMMPS_JPEG, the <A HREF = "dump.html">dump image</A> command will be
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able to write out JPEG image files. If not, it will only be able to
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able to write out JPEG image files. For JPEG files, you must also link
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write out text-based PPM image files. For JPEG files, you must also
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LAMMPS with a JPEG library, as described below. If you use
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link LAMMPS with a JPEG library, as described below.
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-DLAMMPS_PNG, the <A HREF = "dump.html">dump image</A> command will be able to write
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out PNG image files. For PNG files, you must also link LAMMPS with a
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PNG library, as described below. If neither of those two defines are
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used, LAMMPS will only be able to write out text-based PPM image
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files.
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</P>
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</P>
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<P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
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<P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
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posix_memalign() call instead of malloc() when large chunks or memory
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posix_memalign() call instead of malloc() when large chunks or memory
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@ -349,16 +354,23 @@ been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
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</P>
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</P>
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<P><B>Step 7</B>
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<P><B>Step 7</B>
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</P>
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</P>
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<P>The 3 JPG variables allow you to specify a JPEG library which LAMMPS
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<P>The 3 JPG variables allow you to specify a JPEG and/or PNG library
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uses when writing out JPEG files via the <A HREF = "dump_image.html">dump image</A>
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which LAMMPS uses when writing out JPEG or PNG files via the <A HREF = "dump_image.html">dump
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command. These can be left blank if you do not use the -DLAMMPS_JPEG
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image</A> command. These can be left blank if you do not
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switch discussed above in Step 4, since in that case JPEG output will
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use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
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be disabled.
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4, since in that case JPEG/PNG output will be disabled.
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</P>
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</P>
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<P>A standard JPEG library usually goes by the name libjpeg.a and has an
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<P>A standard JPEG library usually goes by the name libjpeg.a or
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associated header file jpeglib.h. Whichever JPEG library you have on
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libjpeg.so and has an associated header file jpeglib.h. Whichever
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your platform, you'll need to set the appropriate JPG_INC, JPG_PATH,
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JPEG library you have on your platform, you'll need to set the
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and JPG_LIB variables, so that the compiler and linker can find it.
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appropriate JPG_INC, JPG_PATH, and JPG_LIB variables, so that the
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compiler and linker can find it.
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</P>
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<P>A standard PNG library usually goes by the name libpng.a or libpng.so
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and has an associated header file png.h. Whichever PNG library you
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have on your platform, you'll need to set the appropriate JPG_INC,
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JPG_PATH, and JPG_LIB variables, so that the compiler and linker can
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find it.
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</P>
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</P>
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<P>As before, if these header and library files are in the usual place on
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<P>As before, if these header and library files are in the usual place on
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your machine, you may not need to set these variables.
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your machine, you may not need to set these variables.
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@ -1252,8 +1264,8 @@ defining index and other kinds of variables and <A HREF = "Section_commands.html
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section</A> for more info on using variables
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section</A> for more info on using variables
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in input scripts.
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in input scripts.
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</P>
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</P>
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<P>IMPORTANT NOTE: Currently, the command-line parser looks for arguments
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<P>NOTE: Currently, the command-line parser looks for arguments that
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that start with "-" to indicate new switches. Thus you cannot specify
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start with "-" to indicate new switches. Thus you cannot specify
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multiple variable values if any of they start with a "-", e.g. a
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multiple variable values if any of they start with a "-", e.g. a
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negative numeric value. It is OK if the first value1 starts with a
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negative numeric value. It is OK if the first value1 starts with a
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"-", since it is automatically skipped.
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"-", since it is automatically skipped.
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@ -80,9 +80,9 @@ This section has the following sub-sections:
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Building LAMMPS can be non-trivial. You may need to edit a makefile,
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Building LAMMPS can be non-trivial. You may need to edit a makefile,
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there are compiler options to consider, additional libraries can be
|
there are compiler options to consider, additional libraries can be
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used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded,
|
used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
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some of these packages use auxiliary libraries which need to be
|
excluded, some of these packages use auxiliary libraries which need to
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pre-built, etc.
|
be pre-built, etc.
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|
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Please read this section carefully. If you are not comfortable with
|
Please read this section carefully. If you are not comfortable with
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makefiles, or building codes on a Unix platform, or running an MPI job
|
makefiles, or building codes on a Unix platform, or running an MPI job
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@ -182,6 +182,7 @@ within the LAMMPS code. The options that are currently recogized are:
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-DLAMMPS_GZIP
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-DLAMMPS_GZIP
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-DLAMMPS_JPEG
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-DLAMMPS_JPEG
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-DLAMMPS_PNG
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-DLAMMPS_MEMALIGN
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-DLAMMPS_MEMALIGN
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-DLAMMPS_XDR
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-DLAMMPS_XDR
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-DLAMMPS_SMALLBIG
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-DLAMMPS_SMALLBIG
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@ -197,9 +198,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
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"popen" command.
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"popen" command.
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|
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If you use -DLAMMPS_JPEG, the "dump image"_dump.html command will be
|
If you use -DLAMMPS_JPEG, the "dump image"_dump.html command will be
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able to write out JPEG image files. If not, it will only be able to
|
able to write out JPEG image files. For JPEG files, you must also link
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write out text-based PPM image files. For JPEG files, you must also
|
LAMMPS with a JPEG library, as described below. If you use
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link LAMMPS with a JPEG library, as described below.
|
-DLAMMPS_PNG, the "dump image"_dump.html command will be able to write
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|
out PNG image files. For PNG files, you must also link LAMMPS with a
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PNG library, as described below. If neither of those two defines are
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|
used, LAMMPS will only be able to write out text-based PPM image
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|
files.
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|
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Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
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Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
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posix_memalign() call instead of malloc() when large chunks or memory
|
posix_memalign() call instead of malloc() when large chunks or memory
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@ -343,16 +348,23 @@ been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
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|
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[Step 7]
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[Step 7]
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The 3 JPG variables allow you to specify a JPEG library which LAMMPS
|
The 3 JPG variables allow you to specify a JPEG and/or PNG library
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uses when writing out JPEG files via the "dump image"_dump_image.html
|
which LAMMPS uses when writing out JPEG or PNG files via the "dump
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command. These can be left blank if you do not use the -DLAMMPS_JPEG
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image"_dump_image.html command. These can be left blank if you do not
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switch discussed above in Step 4, since in that case JPEG output will
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use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
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be disabled.
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4, since in that case JPEG/PNG output will be disabled.
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|
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A standard JPEG library usually goes by the name libjpeg.a and has an
|
A standard JPEG library usually goes by the name libjpeg.a or
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associated header file jpeglib.h. Whichever JPEG library you have on
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libjpeg.so and has an associated header file jpeglib.h. Whichever
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your platform, you'll need to set the appropriate JPG_INC, JPG_PATH,
|
JPEG library you have on your platform, you'll need to set the
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and JPG_LIB variables, so that the compiler and linker can find it.
|
appropriate JPG_INC, JPG_PATH, and JPG_LIB variables, so that the
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compiler and linker can find it.
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|
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A standard PNG library usually goes by the name libpng.a or libpng.so
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and has an associated header file png.h. Whichever PNG library you
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have on your platform, you'll need to set the appropriate JPG_INC,
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JPG_PATH, and JPG_LIB variables, so that the compiler and linker can
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|
find it.
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|
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As before, if these header and library files are in the usual place on
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As before, if these header and library files are in the usual place on
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your machine, you may not need to set these variables.
|
your machine, you may not need to set these variables.
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@ -1243,8 +1255,8 @@ defining index and other kinds of variables and "this
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section"_Section_commands.html#cmd_2 for more info on using variables
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section"_Section_commands.html#cmd_2 for more info on using variables
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in input scripts.
|
in input scripts.
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|
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IMPORTANT NOTE: Currently, the command-line parser looks for arguments
|
NOTE: Currently, the command-line parser looks for arguments that
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||||||
that start with "-" to indicate new switches. Thus you cannot specify
|
start with "-" to indicate new switches. Thus you cannot specify
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||||||
multiple variable values if any of they start with a "-", e.g. a
|
multiple variable values if any of they start with a "-", e.g. a
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negative numeric value. It is OK if the first value1 starts with a
|
negative numeric value. It is OK if the first value1 starts with a
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"-", since it is automatically skipped.
|
"-", since it is automatically skipped.
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@ -82,13 +82,13 @@
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<P><B>Description:</B>
|
<P><B>Description:</B>
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</P>
|
</P>
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<P>Dump a high-quality ray-traced image of the atom configuration every N
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<P>Dump a high-quality ray-traced image of the atom configuration every N
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timesteps as either a JPG or PPM file. The options for this command
|
timesteps as either a JPG or PNG or PPM file. The options for this
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as well as the <A HREF = "dump_modify.html">dump_modify</A> command control what is
|
command as well as the <A HREF = "dump_modify.html">dump_modify</A> command control
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included in the image and how it appears. A series of such images can
|
what is included in the image and how it appears. A series of such
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easily be converted into an animated movie of your simulation; see
|
images can easily be converted into an animated movie of your
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further details below. Other dump styles store snapshots of numerical
|
simulation; see further details below. Other dump styles store
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data asociated with atoms in various formats, as discussed on the
|
snapshots of numerical data asociated with atoms in various formats,
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<A HREF = "dump.html">dump</A> doc page.
|
as discussed on the <A HREF = "dump.html">dump</A> doc page.
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</P>
|
</P>
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<P>Here are two sample images, rendered as 1024x1024 JPG files. Click to
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<P>Here are two sample images, rendered as 1024x1024 JPG files. Click to
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see the full-size images:
|
see the full-size images:
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@ -103,7 +103,17 @@ see the full-size images:
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|
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<P>Only atoms in the specified group are rendered in the image. The
|
<P>Only atoms in the specified group are rendered in the image. The
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<A HREF = "dump_modify.html">dump_modify region and thresh</A> commands can also
|
<A HREF = "dump_modify.html">dump_modify region and thresh</A> commands can also
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alter what atoms are included in the image.
|
alter what atoms are included in the image.</P>
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|
<P>The filename suffix determines whether a JPEG, PNG, or PPM file is
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|
created. If the suffix is ".jpg" or ".jpeg", then a JPEG format file
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|
is created, if the suffix is ".png", then a PNG format is created,
|
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|
else a PPM (aka NETPBM) format file is created. The JPG and PNG files
|
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|
are binary; PPM is a text file. JPG images have lossy compression;
|
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|
PNG and PPM formats have lossless compression. To write out JPEG and
|
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|
PNG format files, you must build LAMMPS with support for the
|
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|
corresponding JPEG or PNG library. See <A HREF = "Section_start.html#start_2_4">this
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|
section</A> of the manual for instructions
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|
on how to do this.
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</P>
|
</P>
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<P>The filename suffix determines whether a JPG or PPM file is created.
|
<P>The filename suffix determines whether a JPG or PPM file is created.
|
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If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
|
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
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@ -69,13 +69,13 @@ dump myDump all image 100 dump.*.jpg type type :pre
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[Description:]
|
[Description:]
|
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|
|
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Dump a high-quality ray-traced image of the atom configuration every N
|
Dump a high-quality ray-traced image of the atom configuration every N
|
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timesteps as either a JPG or PPM file. The options for this command
|
timesteps as either a JPG or PNG or PPM file. The options for this
|
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as well as the "dump_modify"_dump_modify.html command control what is
|
command as well as the "dump_modify"_dump_modify.html command control
|
||||||
included in the image and how it appears. A series of such images can
|
what is included in the image and how it appears. A series of such
|
||||||
easily be converted into an animated movie of your simulation; see
|
images can easily be converted into an animated movie of your
|
||||||
further details below. Other dump styles store snapshots of numerical
|
simulation; see further details below. Other dump styles store
|
||||||
data asociated with atoms in various formats, as discussed on the
|
snapshots of numerical data asociated with atoms in various formats,
|
||||||
"dump"_dump.html doc page.
|
as discussed on the "dump"_dump.html doc page.
|
||||||
|
|
||||||
Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
||||||
see the full-size images:
|
see the full-size images:
|
||||||
@ -89,7 +89,18 @@ see the full-size images:
|
|||||||
|
|
||||||
Only atoms in the specified group are rendered in the image. The
|
Only atoms in the specified group are rendered in the image. The
|
||||||
"dump_modify region and thresh"_dump_modify.html commands can also
|
"dump_modify region and thresh"_dump_modify.html commands can also
|
||||||
alter what atoms are included in the image.
|
alter what atoms are included in the image.\
|
||||||
|
|
||||||
|
The filename suffix determines whether a JPEG, PNG, or PPM file is
|
||||||
|
created. 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 is a text file. JPG images have lossy compression;
|
||||||
|
PNG and PPM formats have lossless compression. To write out JPEG and
|
||||||
|
PNG format files, you must build LAMMPS with support for the
|
||||||
|
corresponding JPEG or PNG library. See "this
|
||||||
|
section"_Section_start.html#start_2_4 of the manual for instructions
|
||||||
|
on how to do this.
|
||||||
|
|
||||||
The filename suffix determines whether a JPG or PPM file is created.
|
The filename suffix determines whether a JPG or PPM file is created.
|
||||||
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
|
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
|
||||||
|
|||||||
Reference in New Issue
Block a user