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COSET : a program for deriving and testing merohedral and pseudo‐merohedral twin laws
Author(s) -
Boyle Paul D.
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576713032901
Subject(s) - executable , coset , computer science , python (programming language) , programming language , mathematics , discrete mathematics
COSET is a program written in ISO C99 with POSIX extensions which uses left coset decompositions to determine possible merohedral and pseudo‐merohedral twin laws. In addition to a stand‐alone program, the code may be compiled as a Python extension module. The program can create SHELXL instruction files which incorporate the appropriate TWIN and BASF instructions for the possible twin law(s). COSET may also be directed to execute a locally installed copy of the SHELXL binary executable to test the candidate twin laws in trial refinements. This facilitates the quick screening and assessment of possible twin laws.