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Merge pull request #32 from lammpstutorials/improve-tutorial-3
Homogenize and clean tutorial 3
2 parents ce139b5 + 7f9cea7 commit 64ea4aa

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figures/PEG-density.png

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figures/PEG-distance.png

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figures/PEG-in-vacuum.png

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figures/PEG-in-water.png

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figures/PEG-solvated.png

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figures/PEG-water.png

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files/tutorial3/.manifest

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# LAMMPS Tutorial manifest file. This file determines what is downloaded when.
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# comments start with a # as the first character.
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# comments and empty lines are ignored
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##############################################################################
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# 1) input file templates and data files
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# the first file will be automatically loaded
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peg.mol
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water.mol
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parameters.inc
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water.lmp
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merge.lmp
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pull.lmp
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# 2) solution files
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# only downloaded on request
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solution/parameters.inc
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solution/peg.mol
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solution/water.lmp
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solution/water.mol
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solution/water.restart
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solution/water.log
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solution/water.png
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solution/merge.lmp
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solution/merge.restart
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solution/merge.log
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solution/merge.png
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solution/pull.lmp
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solution/pull.log
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solution/pull.png
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# 3) support files
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files/tutorial3/PARM.lmp

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files/tutorial3/merge.lmp

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read_restart water.restart

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