NEEMP:Getting started

waiting for instructions on how to retrieve the executable file

NEEMP can then be run simply by calling the command ./neemp. For instance, to get information about basic usage, use:

~/neemp/$ ./neemp --help

Click on the link to see the complete options list.

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.

NB: the examples directory contains all the files employed in the NEEMP:examples section. src directory has not been expanded to improve the readability.

/neemp
├── examples
│   ├── charges.chg
│   ├── ElemBond.par
│   ├── Element.par
│   ├── NOTES
│   ├── set01.sdf
│   ├── set02.sdf
│   └── set03.sdf
├── LICENCE
├── Makefile
├── misc
│   ├── template
│   ├── valgrind-suppresions
│   └── web-update.sh
├── README
└── src