RMC — Reverse Monte Carlo structural refinement
Copyright 2026 Sayan Samanta

This product is licensed under the Apache License, Version 2.0 (see LICENSE).

This software is an independent implementation of published scientific
methods, written from the published literature. No source code from any other
Reverse Monte Carlo, ADF, or SQS package was copied into this project.

The design was informed by study of existing RMC software, in particular
fullrmc (B. Aoun; licensed AGPL-3.0). fullrmc's published concepts and feature
set served as conceptual inspiration only; no fullrmc source code was copied,
translated, or incorporated.

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Method citations
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Reverse Monte Carlo:
  R. L. McGreevy and L. Pusztai, "Reverse Monte Carlo Simulation: A New
  Technique for the Determination of Disordered Structures,"
  Mol. Simul. 1, 359-367 (1988). doi:10.1080/08927028808080958

  R. L. McGreevy, "Reverse Monte Carlo modelling,"
  J. Phys.: Condens. Matter 13, R877-R913 (2001).
  doi:10.1088/0953-8984/13/46/201

Special Glass Structures (ADF refinement and random amorphous generation):
  S. Zhu, J. Schroers, S. Curtarolo, H. Eckert, and A. van de Walle,
  "Special glass structures for first-principles studies of bulk metallic
  glasses," Acta Materialia 262, 119456 (2024).
  doi:10.1016/j.actamat.2023.119456

Special Quasirandom Structures (mcsqs_rmc):
  A. Zunger, S.-H. Wei, L. G. Ferreira, and J. E. Bernard, "Special
  Quasirandom Structures," Phys. Rev. Lett. 65, 353-356 (1990).
  doi:10.1103/PhysRevLett.65.353

  A. van de Walle, P. Tiwary, M. de Jong, D. L. Olmsted, M. Asta, A. Dick,
  D. Shin, Y. Wang, L.-Q. Chen, and Z.-K. Liu, "Efficient stochastic
  generation of special quasirandom structures," Calphad 42, 13-18 (2013).
  doi:10.1016/j.calphad.2013.06.006

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Third-party components
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seitz — crystallography library (lattices, periodicity, element data, and the
  cluster orbits used by mcsqs_rmc)
  License: BSD 3-Clause License
  Copyright (c) 2026, Sayan Samanta
  Source:  https://github.com/reach2sayan/Seitz — fetched at build time and
           linked into libRMC; not redistributed in source form here.

ATAT — Alloy Theoretic Automated Toolkit
  License: Creative Commons Attribution-NoDerivatives 4.0 International
           (CC BY-ND 4.0), https://creativecommons.org/licenses/by-nd/4.0/
  Author:  Axel van de Walle and contributors
  Usage:   Not used by the shipped binaries: mcsqs_rmc enumerates cluster
           orbits with seitz. One optional test runs ATAT's `corrdump` as a
           separate executable (when RMC_CORRDUMP names it) to cross-check
           correlations. No ATAT source is compiled, linked or bundled; ATAT is
           installed separately by the user (https://axelvdw.github.io/atat/).

The following are obtained at build time and are not redistributed in source
form by this project; each is governed by its own license:

  seitz            — BSD 3-Clause
  Boost            — Boost Software License 1.0
  Eigen            — MPL 2.0
  spdlog           — MIT
  Catch2 (tests)   — BSL 1.0

See each component's own distribution for its full license text.
