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Kick procedure
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Overview
Over the years, stochastic search procedure for generating starting structures on the potential energy surface has evolved from 50 lines of Fortran code with simple and rugged idea, to a variety of different flavors and variants. Here, some of those are presented, and implemented in a web-page variant using javascript.
Introduction
This is a quick guide in evolution of "KICK" stochastic search procedure. It has had many iterations in the past 16 years in our research group (Vrček-Šakić), including moving from FORTRAN to c++, then rewriting from c++ to bash for usage in command line without compiler, and lastly rewritten in javascript for usage in web-pages.
Two other approaches are:
Coalescence Kick (https://github.com/averkiev75/Coalescence-Kick) in c++ by Boris Averkiev
SnippetKick (https://github.com/HumanOsv/SnippetKick) in Perl by Osvaldo Yañez Osses
The original paper that started everything: "Stochastic Search for Isomers on a Quantum Mechanical Surface" by Martin Saunders, (J. Comput. Chem. 2004, 25, 621 - 626.) was published in 2004, and has been cited 177 times (2020).
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