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| <span style="color:#FF0000"> waiting for instructions on how to retrieve the executable file </span>
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| '''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:
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| <code>~/neemp/$ ./neemp --help</code>
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| Click on the link to see the complete [[NEEMP:Options | options list]].
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| Before proceeding in the description of '''NEEMP''''s modes, here we introduce a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.
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| '''NB:''' the ''examples'' directory contains all the files employed in the [[NEEMP:examples]] section. ''src'' directory has not been expanded to improve the readability.
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| <nowiki>
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| /neemp
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| ├── examples
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| │ ├── charges.chg
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| │ ├── ElemBond.par
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| │ ├── Element.par
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| │ ├── NOTES
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| │ ├── set01.sdf
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| │ ├── set02.sdf
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| │ └── set03.sdf
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| ├── LICENCE
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| ├── Makefile
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| ├── misc
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| │ ├── template
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| │ ├── valgrind-suppresions
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| │ └── web-update.sh
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| ├── README
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| └── src
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| </nowiki>
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