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Toward Discord: Code for Simulating Continuous Spin Systems...

by Zachary J Morgan, Feng Ye
Publication Type
Journal
Journal Name
Journal of the Minerals Metals & Materials Society (JOM)
Publication Date
Page Number
5
Volume
74
Issue
6

A new computational tool to simulate classical spin systems with frustrated crystal structures is presented. Complementary single- and cluster-spin flip algorithms are implemented to calculate the diffuse scattering patterns, spin-pair correlations, and thermodynamic quantities. Test cases of geometrically frustrated kagome, pyrochlore, and cubic systems are detailed. Two recent scientific cases are also shown. This new method, together with recent developments of the rmc-discord package (https://github.com/zjmorgan/rmc-discord), represent integrated and strategic step in a complete forward and reverse Monte Carlo framework discord.