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The seventh blind test of crystal structure prediction: structure generation methods
2.1. Motivation The decision to undertake a seventh blind test was driven by two key factors. Firstly, by 2018, it was clear that new methods were appearing in the literature, and feedback from the academic and industrial community indicated that a new test was desirable, as there had been sufficient methodological progress to justify a new test.
The seventh blind test of crystal structure prediction: structure generation methods
2.6. Pushing the boundaries: new features in this CSP blind test The seventh blind test presented new and relevant challenges to CSP methods, the key differences to previous blind tests being: (a) splitting the test into two parts; structure generation and structure ranking methods were assessed separately, the latter involving a standardized set of structures; (b) the analysis of larger sets of structures (up to 1500, compared to 100 in the sixth blind test); (c) the inclusion of challenging...
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