Documentation
On these pages you will find detailed information about the usage of CREST.
General Usage
CREST is usually invoked via command line, and requires only a coordinate input file.
crest [INPUT] [OPTIONS]
Examples for atomic coordinate input formats can be found on the File Formats page. If no file is given as [INPUT]
, then CREST automatically searches for a file called coord
in the .coord format. Usually, either must be present. The different command line [OPTIONS]
can be found in the Keyword Documentation .
CREST 3.0 Preview
Alternatively, CREST 3 instructions can be defined entriely in a separate input file and passed via
crest --input <INPUTFILE>
For more information see the Input File Documentation section, or some selected examples.
Table of contents
- Keyword Documentation - The entire list of available command line arguments for CREST.
- Input File Documentation - A guide to CREST input files (program versions >3.0).
- Functionalities - An overview over the different tools implemented in CREST.
- File Formats - Examples for input files and formats.