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Presented here is decryst, a software suite for structure determination frompowder diffraction, which uses the direct space method, and is able to applyanti-bump constraints automatically and efficiently during the procedure ofglobal optimisation using the crystallographic collision detection algorithm inarXiv:1708.03180. decryst employs incremental computation in its globaloptimisation cycles, which results in dramatic performance enhancement; it isalso designed with parallel and distributed computing in mind, allowing foreven better performance by simultaneous use of multiple processors. decryst isfree and open source software, and can be obtained athttps://gitlab.com/CasperVector/decryst/; it strives to be simple yet flexible,in the hope that the underlying techniques could be adopted in morecrystallographic applications.

decryst : an efficient software suite for structure determination from powder diffraction