Vegas: Software package for the atomistic simulation of magnetic materials

Abstract

We present an open-source software package, Vegas, for the atomistic simulation of magnetic materials. Using the classical Heisenberg model and the Monte Carlo Metropolis algorithm, Vegas provides the required tools to simulate and analyze magnetic phenomena of a great variety of systems. Vegas stores the history of the simulation, i.e. the magnetization and energy of the system at every time step, allowing to analyze static and dynamic magnetic phenomena from results obtained in a single simulation. Also, standardized input and output file formats are employed to facilitate the simulation process and the exchange and archiving of data. We include results from simulations performed using Vegas, showing its applicability to study different magnetic phenomena.

Magnetic behavior of mixed spin prussian blue analog cylindrical nanowire

“…Energies were calculated using interactions between nearest neighbors and every sample was randomly generated under the respective probability conditions 15 times for comparison and respective error measurements. With the aim of studying the magnetic properties of the ternary alloy, Monte Carlo simulations were performed using single spin-flip Metropolis algorithm [19] implemented in VEGAS simulation package [20].…”

SuSMoST: Surface Science Modeling and Simulation Toolkit

“…[6,10] Simultaneous usage of various complicated algorithms could be necessary for ensuring validity and reliability of the results. There are several general-purpose kinetic Monte Carlo codes, [33][34][35][36][37][38] but implementations of other methods, to the best of our knowledge, are tailored to specific kinds of lattice physical systems, different from adsorption layers [39][40][41][42][43] and ignore peculiarities of symmetry of ACs. Although kinetic Monte Carlo in many cases is able to predict equilibrium phase of adsorption layer, it is not the most suitable method for this kind of tasks.…”

Computation of magnetization, exchange stiffness, anisotropy, and susceptibilities in large-scale systems using GPU-accelerated atomistic parallel Monte Carlo algorithms

“…and Vegas [9]. One current shortcoming, is that the algorithms used are largely serial in nature and cannot be directly implemented on graphical processing units (GPU).…”