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## Option: round-off

#### Syntax

`-round-off <property> <accuracy>`

#### Description

This option allows to round off the values of the given <property> to the given <accuracy>.

The <property> can be X, Y or Z (referring to Cartesian coordinates of atoms), H (referring to box vectors), or any per-atom auxiliary property. If it is defined as "XYZ", then all three coordinates will be rounded off; if it is "AUX", then all auxiliary properties will be rounded off. The <accuracy> should be a positive real number, and can be given using the exponent notation (see examples below).

If a selection was defined (with the option `-select`) then the rounding off will affect only the selected atoms.

#### Default

By default numbers are not rounded off, they are stored as double precision real numbers (i.e. at least 15 significant numbers).

#### Examples

- `atomsk initial.cfg -round-off x 1e-6 final.cfg`

  This will read the file `initial.cfg`, and round off the X coordinates of all atoms to the sixth decimal number. For instance, if an atom has a X coordinate equal to 112.593725936, it will be rounded off to 112.593726. If an atom has a coordinate 54.329378216, it will be rounded off to 54.329378, and so on. The final result will be saved into `final.cfg`.

- `atomsk initial.cfg -round-off xyz 0.01 final.cfg`

  This will read the file `initial.cfg`, and round off all coordinates (X, Y and Z) of all atoms to the second decimal. The final result will be saved into `final.cfg`.

- `atomsk initial.cfg -round-off energy 1.0e-4 final.cfg`

  This will read the file `initial.cfg`, and round off the auxiliary property called "energy" to the fourth decimal number. The final result will be saved into `final.cfg`.

- `atomsk initial.cfg -round-off AUX 0.001 final.cfg`

  This will read the file `initial.cfg`, and round off all auxiliary properties to the third decimal number. The final result will be saved into `final.cfg`.

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