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New release of AIRSS (0.9.1) (No replies)

cjp20
4 months ago
cjp20 4 months ago
The latest version of the AIRSS package (v0.9.1) has been released, under the GPL2 licence. 
 
Ab initio Random Structure Searching (AIRSS) is a simple, powerful and highly parallel, approach to structure prediction. 
 
The package is tightly integrated with the CASTEP code. However, it is relatively straightforward to modify the scripts to use alternative codes to obtain the core functionality, and examples are provided.
 
In addition to numerous bug fixes, the latest version provides an improved build system, more examples and support for the VASP code.
 
Find out more here:
 
 
Thank you to all those that have already made suggestions, reported bugs, and provided fixes. 
 
If you have any questions, please contact us at airss@msm.cam.ac.uk



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Ab initio (from electronic structure) calculation of complex processes in materials