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## Mode: Unfold

#### Syntax

`atomsk --unfold <file> [<prefix>] <formats> [options]`

#### Description

In this mode, Atomsk will read one file containing several configurations (or snapshots), and output each configuration into a separate file.

The input formats supported in this mode are:

- HISTORY files produced by DL_POLY (see DL_POLY specifications); the actual timestep from the HISTORY file is used to name output files.
- LAMMPS custom dump files (see specifications).
- Quantum Espresso PWscf output files (see specifications).
- VASP OUTCAR files (see specifications).
- Animated XSF (see XSF specifications).
- XYZ, either normal XYZ or extended XYZ (see XYZ specifications); the special XYZ format is not recognized.

Each snapshot can be output to one or several <formats>.

If you use this mode with one or several options, then these options will be applied to each snapshot.

For the opposite operation (gather several snapshots into a single file), see the mode `--gather`.

#### Examples

- `atomsk --unfold dump.lmc cfg`

  This will read the LAMMPS dump file `dump.lmc` and output each snapshot to CFG format: `dump1.cfg`, `dump2.cfg`, etc.

- `atomsk --unfold myfile.xyz xsf`

  This will read `myfile.xyz` and output each snapshot to XSF format: `myfile1.xsf`, `myfile2.xsf`, etc.

- `atomsk --unfold scf.out -unit B A xsf`

  This will read the Quantum Espresso PWscf output file `scf.out`, convert the unit of cell vectors and atom coordinates from Bohrs to Angströms, and output each snapshot to the XSF format: `scf1.xsf`, `scf2.xsf`, etc.

- `atomsk --unfold HISTORY xsf cfg`

  This will read the DL_POLY file `HISTORY`, and output each snapshot to XSF and CFG formats: `HISTORY1.xsf` and `HISTORY1.cfg`, `HISTORY2.xsf` and `HISTORY2.cfg`, etc.

- `atomsk --unfold myfile.xsf new_ xsf cfg`

  This example uses a prefix ("new_"). It will read the "animated XSF" file `myfile.xsf` and output each snapshot to the XSF and CFG formats: `new_1.xsf` and `new_1.cfg`, `new_2.xsf` and `new_2.cfg`, etc..

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