Back to main menu

Mode: list

Syntax

atomsk --list <listfile> [<formats>] [options]

Description

In this mode, Atomsk will convert a list of files. This is of course convenient when one has a lot of files to convert, typically snapshots of a molecular dynamics run.

The file <listfile> should contain a list of files to convert. A quick and simple way to build such a file is to list files in a directory and use the redirection symbol ">". For instance:

ls * > list.lst

In addition the <listfile> has the following specifications:

• empty lines, and lines starting with # are ignored (this can be used to insert comments).
• a line containing a file name will trigger the conversion of that file in all formats that are active. If the file is not found, a warning is displayed and Atomsk goes on with the following files.
• a line containing the statement all <format> activates this <format>.
• if a format is specified after a file name, the file will be converted to that format. This applies only to that file, not the following files.

As a result, the minimal <listfile> contains only one file name. A recommended, but not mandatory, extension for the <listfile>, is .lst.

The output format(s) can be activated in several ways (also check the list of supported formats):

• in the command-line, several output formats can be specified.
• in the <listfile> with the statement all <format>.
• in the <listfile>, after the name of each file, one <format> can be specified.

The output file names are automatically decided after the input file names and the active file format(s).

Note that you can use the mode --list in combination with one or several options. These options will then be applied to all the files converted.

Examples

• atomsk --list filelist.lst cfg

  This will convert all the files which names are specified in filelist.lst into the CFG format.

• atomsk --list filelist.lst xyz cfg xsf

  This will convert all the files which names are specified in filelist.lst, into XYZ, CFG and XSF formats.

• ls *lmc >list.lst && atomsk -L list.lst xyz cfg

  This will list all LAMMPS custom files (LMC) in the current directory, and convert them to XYZ and CFG formats.

Back to main menu