2007-09-28 07:25:52 +08:00
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<HEAD>
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<TITLE>LAMMPS Users Manual</TITLE>
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<META NAME="docnumber" CONTENT="Large-scale Atomic/Molecular Massively Parallel Simulator">
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<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
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<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
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</HEAD>
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<BODY>
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2006-09-22 00:22:34 +08:00
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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<H1></H1>
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LAMMPS Documentation :c,h3
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2010-09-07 04:22:15 +08:00
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Version info:
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HTML pages on WWW site are always current to most recent patch on "this page"_bug
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HTML pages in doc directory are for LAMMPS version you have
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PDF file on WWW site and in doc directory is updated about once per month :ul
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2006-09-22 00:22:34 +08:00
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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LAMMPS is a classical molecular dynamics simulation code designed to
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run efficiently on parallel computers. It was developed at Sandia
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National Laboratories, a US Department of Energy facility, with
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funding from the DOE. It is an open-source code, distributed freely
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under the terms of the GNU Public License (GPL).
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2010-01-15 07:50:34 +08:00
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The primary developers of LAMMPS are "Steve Plimpton"_sjp, Paul
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Crozier, and Aidan Thompson who can be contacted at
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sjplimp,pscrozi,athomps at sandia.gov. The "LAMMPS WWW Site"_lws at
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http://lammps.sandia.gov has more information about the code and its
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uses.
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2006-09-22 00:22:34 +08:00
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2010-09-07 04:22:15 +08:00
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:link(bug,http://lammps.sandia.gov/bug.html)
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2010-05-07 23:11:21 +08:00
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:link(sjp,http://www.sandia.gov/~sjplimp)
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2006-09-22 00:22:34 +08:00
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:line
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The LAMMPS documentation is organized into the following sections. If
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you find errors or omissions in this manual or have suggestions for
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2006-09-26 23:30:56 +08:00
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useful information to add, please send an email to the developers so
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we can improve the LAMMPS documentation.
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2006-09-22 00:22:34 +08:00
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2007-06-26 08:03:39 +08:00
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Once you are familiar with LAMMPS, you may want to bookmark "this
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page"_Section_commands.html#comm at Section_commands.html#comm since
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it gives quick access to documentation for all LAMMPS commands.
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2006-09-22 00:22:34 +08:00
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"PDF file"_Manual.pdf of the entire manual, generated by
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"htmldoc"_http://www.easysw.com/htmldoc
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2009-03-19 22:54:14 +08:00
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IMPORTANT NOTE: If you browse the LAMMPS HTML doc pages from the
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LAMMPS WWW site, then they describe the most current, fully-patched
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version of LAMMPS, which has changed after the date listed above.
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These additions are described on "this
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page"_http://lammps.sandia.gov/bug.html. If you browse the HTML doc
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pages from the doc directory of the tarball you downloaded, then they
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will describe that tarball, whether it was the original version for
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the date listed above, or an upgraded tarball including features up to
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the date you downloaded it, again as described on "this
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2009-03-19 22:34:23 +08:00
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page"_http://lammps.sandia.gov/bug.html. When the tarball unpacks, it
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will contain the date that corresponds to which version you
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downloaded. The PDF file described above is not regenerated for every
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patch, so it always corresponds to the original version with the date
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listed above.
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2006-09-22 00:22:34 +08:00
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"Introduction"_Section_intro.html :olb,l
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1.1 "What is LAMMPS"_1_1 :ulb,b
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1.2 "LAMMPS features"_1_2 :b
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1.3 "LAMMPS non-features"_1_3 :b
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1.4 "Open source distribution"_1_4 :b
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1.5 "Acknowledgments and citations"_1_5 :ule,b
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"Getting started"_Section_start.html :l
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2.1 "What's in the LAMMPS distribution"_2_1 :ulb,b
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2.2 "Making LAMMPS"_2_2 :b
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2.3 "Making LAMMPS with optional packages"_2_3 :b
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2.4 "Building LAMMPS as a library"_2_4 :b
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2007-02-10 05:37:30 +08:00
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2.5 "Running LAMMPS"_2_5 :b
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2.6 "Command-line options"_2_6 :b
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2.7 "Screen output"_2_7 :b
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2009-08-13 00:45:55 +08:00
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2.8 "Running on GPUs"_2_8 :b
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2.9 "Tips for users of previous versions"_2_9 :ule,b
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"Commands"_Section_commands.html :l
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3.1 "LAMMPS input script"_3_1 :ulb,b
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3.2 "Parsing rules"_3_2 :b
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3.3 "Input script structure"_3_3 :b
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3.4 "Commands listed by category"_3_4 :b
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3.5 "Commands listed alphabetically"_3_5 :ule,b
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"How-to discussions"_Section_howto.html :l
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4.1 "Restarting a simulation"_4_1 :ulb,b
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4.2 "2d simulations"_4_2 :b
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4.3 "CHARMM and AMBER force fields"_4_3 :b
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4.4 "Running multiple simulations from one input script"_4_4 :b
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4.5 "Multi-replica simulations"_4_5 :b
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4.6 "Granular models"_4_6 :b
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4.7 "TIP3P water model"_4_7 :b
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4.8 "TIP4P water model"_4_8 :b
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4.9 "SPC water model"_4_9 :b
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2007-05-24 22:22:05 +08:00
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4.10 "Coupling LAMMPS to other codes"_4_10 :b
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4.11 "Visualizing LAMMPS snapshots"_4_11 :b
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4.12 "Triclinic (non-orthogonal) simulation boxes"_4_12 :b
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4.13 "NEMD simulations"_4_13 :b
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2008-06-25 01:27:41 +08:00
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4.14 "Extended spherical and aspherical particles"_4_14 :b
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2009-01-27 04:14:19 +08:00
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4.15 "Output from LAMMPS (thermo, dumps, computes, fixes, variables)"_4_15 :b
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4.16 "Thermostatting, barostatting, and compute temperature"_4_16 :b
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4.17 "Walls"_4_17 :b
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4.18 "Elastic constants"_4_18 :b
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4.19 "Library interface to LAMMPS"_4_19 :b
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4.20 "Calculating thermal conductivity"_4_20 :b
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4.21 "Calculating viscosity"_4_21 :ule,b
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"Example problems"_Section_example.html :l
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"Performance & scalability"_Section_perf.html :l
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"Additional tools"_Section_tools.html :l
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"Modifying & Extending LAMMPS"_Section_modify.html :l
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"Python interface"_Section_python.html :l
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9.1 "Extending Python with a serial version of LAMMPS"_9_1 :ulb,b
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9.2 "Creating a shared MPI library"_9_2 :b
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9.3 "Extending Python with a parallel version of LAMMPS"_9_3 :b
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9.4 "Extending Python with MPI"_9_4 :b
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9.5 "Testing the Python-LAMMPS interface"_9_5 :b
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9.6 "Using LAMMPS from Python"_9_6 :b
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9.7 "Example Python scripts that use LAMMPS"_9_7 :ule,b
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"Errors"_Section_errors.html :l
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10.1 "Common problems"_10_1 :ulb,b
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10.2 "Reporting bugs"_10_2 :b
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10.3 "Error & warning messages"_10_3 :ule,b
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"Future and history"_Section_history.html :l
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11.1 "Coming attractions"_11_1 :ulb,b
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11.2 "Past versions"_11_2 :ule,b
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:ole
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:link(1_1,Section_intro.html#1_1)
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:link(1_2,Section_intro.html#1_2)
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:link(1_3,Section_intro.html#1_3)
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:link(1_4,Section_intro.html#1_4)
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:link(1_5,Section_intro.html#1_5)
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:link(2_1,Section_start.html#2_1)
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:link(2_2,Section_start.html#2_2)
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:link(2_3,Section_start.html#2_3)
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:link(2_4,Section_start.html#2_4)
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:link(2_5,Section_start.html#2_5)
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:link(2_6,Section_start.html#2_6)
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2007-02-10 05:37:30 +08:00
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:link(2_7,Section_start.html#2_7)
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:link(2_8,Section_start.html#2_8)
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2010-05-07 23:11:21 +08:00
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:link(2_9,Section_start.html#2_9)
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2006-09-22 00:22:34 +08:00
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:link(3_1,Section_commands.html#3_1)
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:link(3_2,Section_commands.html#3_2)
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:link(3_3,Section_commands.html#3_3)
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:link(3_4,Section_commands.html#3_4)
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:link(3_5,Section_commands.html#3_5)
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:link(4_1,Section_howto.html#4_1)
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:link(4_2,Section_howto.html#4_2)
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:link(4_3,Section_howto.html#4_3)
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:link(4_4,Section_howto.html#4_4)
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:link(4_5,Section_howto.html#4_5)
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:link(4_6,Section_howto.html#4_6)
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:link(4_7,Section_howto.html#4_7)
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:link(4_8,Section_howto.html#4_8)
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:link(4_9,Section_howto.html#4_9)
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:link(4_10,Section_howto.html#4_10)
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2007-02-23 00:52:24 +08:00
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:link(4_11,Section_howto.html#4_11)
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2007-06-26 08:03:39 +08:00
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:link(4_12,Section_howto.html#4_12)
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:link(4_13,Section_howto.html#4_13)
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:link(4_14,Section_howto.html#4_14)
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2007-09-28 07:25:52 +08:00
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:link(4_15,Section_howto.html#4_15)
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2008-04-05 05:15:50 +08:00
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:link(4_16,Section_howto.html#4_16)
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2010-05-07 23:11:21 +08:00
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:link(4_17,Section_howto.html#4_17)
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2010-05-14 23:10:38 +08:00
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:link(4_18,Section_howto.html#4_18)
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2010-11-02 23:05:51 +08:00
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:link(4_19,Section_howto.html#4_19)
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2011-01-04 00:42:55 +08:00
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:link(4_20,Section_howto.html#4_20)
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:link(4_21,Section_howto.html#4_21)
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2010-11-02 23:05:51 +08:00
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:link(9_1,Section_python.html#9_1)
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:link(9_2,Section_python.html#9_2)
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:link(9_3,Section_python.html#9_3)
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:link(9_4,Section_python.html#9_4)
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:link(9_5,Section_python.html#9_5)
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:link(9_6,Section_python.html#9_6)
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:link(9_7,Section_python.html#9_7)
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:link(10_1,Section_errors.html#10_1)
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:link(10_2,Section_errors.html#10_2)
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:link(10_3,Section_errors.html#10_3)
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:link(11_1,Section_history.html#11_1)
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:link(11_2,Section_history.html#11_2)
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2007-09-28 07:25:52 +08:00
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