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ITEM: TIMESTEP
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ITEM: NUMBER OF ATOMS
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ITEM: NUMBER OF ATOMS
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8
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ITEM: NUMBER OF ATOMS
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ITEM: NUMBER OF ATOMS
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ITEM: TIMESTEP
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7
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ITEM: NUMBER OF ATOMS
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8
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ITEM: BOX BOUNDS
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0 5.43
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0 5.43
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ITEM: ATOMS id type x y z fx fy fz
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ITEM: TIMESTEP
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8
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ITEM: NUMBER OF ATOMS
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8
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ITEM: BOX BOUNDS
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0 5.43
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0 5.43
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ITEM: ATOMS id type x y z fx fy fz
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ITEM: TIMESTEP
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9
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ITEM: NUMBER OF ATOMS
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8
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ITEM: BOX BOUNDS
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0 5.43
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0 5.43
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ITEM: ATOMS id type x y z fx fy fz
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2 1 1.36395 1.37339 1.33715 0.466739 -0.920802 0.3422
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8 1 1.30547 4.06227 4.06256 0.71144 -0.344012 0.337553
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ITEM: TIMESTEP
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10
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ITEM: NUMBER OF ATOMS
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8
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ITEM: BOX BOUNDS
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0 5.43
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0 5.43
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0 5.43
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ITEM: ATOMS id type x y z fx fy fz
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1 1 -0.0119482 -0.0189383 0.0375744 -0.152028 0.788087 -0.447056
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2 1 1.36527 1.37396 1.33537 0.496672 -0.968868 0.347247
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3 1 2.72297 -0.0059927 2.75837 -0.318551 0.305012 0.0496021
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4 1 4.07875 1.40205 4.04957 0.297098 -1.17819 0.659295
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5 1 2.74455 2.70403 -0.00228608 -0.149266 0.845995 -0.163206
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6 1 4.08656 4.09166 1.37792 -0.483288 -0.697322 -0.0212023
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7 1 0.00695317 2.67351 2.67641 -0.0468461 0.409146 -0.377473
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8 1 1.30067 4.06065 4.06193 0.736863 -0.346737 0.346271
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@ -1,12 +1,26 @@
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LAMMPS example problems
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There are 3 flavors of sub-directories in this file, each with sample
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problems you can run with LAMMPS.
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lower-case directories = simple test problems for LAMMPS and its packages
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upper-case directories = more complex problems
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USER directory with its own sub-directories = tests for USER packages
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Each is discussed below.
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------------------------------------------
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Lower-case directories
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Each of these sub-directories contains a sample problem you can run
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with LAMMPS. Most are 2d models so that they run quickly, requiring a
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few seconds to a few minutes to run on a desktop machine. Each
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problem has an input script (in.*) and produces a log file (log.*) and
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(optionally) a dump file (dump.*) or image files (image.*) when it
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runs. Some use a data file (data.*) of initial coordinates as
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additional input.
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additional input. Some require that you install one or more optional
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LAMMPS packages.
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A few sample log file outputs on different machines and different
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numbers of processors are included in the directories to compare your
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@ -77,12 +91,22 @@ create a GIF file suitable for viewing in a browser.
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------------------------------------------
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There is also an ELASTIC directory with an example script for
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computing elastic constants, using a zero temperature Si example. See
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the in.elastic file for more info.
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Upper-case directories
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There is also a USER directory which contains subdirectories of
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user-provided examples for user packages. See the README files in
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those directories for more info. See the doc/Section_start.html file
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for more info about user packages.
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The COUPLE directory has examples of how to use LAMMPS as a library,
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either by itself or in tandem with another code or library. See the
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COUPLE/README file to get started.
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The ELASTIC directory has an example script for computing elastic
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constants, using a zero temperature Si example. See the
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ELASTIC/in.elastic file for more info.
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------------------------------------------
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USER directory
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The USER directory contains subdirectories of user-provided example
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scripts for ser packages. See the README files in those directories
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for more info. See the doc/Section_start.html file for more info
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about installing and building user packages.
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