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figures/US-free-energy.png

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files/tutorial7/.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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free-sampling.lmp
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metadata.dat
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umbrella-sampling.lmp
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wham
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# 2) solution files
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# only downloaded on request
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free-sampling.dat
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free-sampling.lmp
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free-sampling.log
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free-sampling.png
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umbrella-sampling.dat
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umbrella-sampling.lmp
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umbrella-sampling.log
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umbrella-sampling.png
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wham
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metadata.dat
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# 3) support files
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files/tutorial7/metadata.dat

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../metadata.dat

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