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Computer Physics Communications

ISSN: 0010-4655

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Datasets associated with articles published in Computer Physics Communications

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1970 2024
5952 results
  • The TDHF code Sky3D version 1.2
    The Sky3D code has been widely used to describe nuclear ground states, collective vibrational excitations, and heavy-ion collisions. The approach is based on Skyrme forces or related energy density functionals. The static and dynamic equations are solved on a three-dimensional grid, and pairing is been implemented in the BCS approximation. This updated version of the code aims to facilitate the calculation of nuclear strength functions in the regime of linear response theory, while retaining all existing functionality and use cases. The strength functions are benchmarked against available RPA codes, and the user has the freedom of choice when selecting the nature of external excitation (from monopole to hexadecapole and more). Some utility programs are also provided that calculate the strength function from the time-dependent output of the dynamic calculations of the Sky3D code.
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  • Multem 3: An updated and revised version of the program for transmission and band calculations of photonic crystals
    We present here Multem 3, an updated and revised version of Multem 2, which syntax has been upgraded to Fortran 2018, with the source code being divided into modules. Multem 3 is equipped with LAPACK, the state-of-the art Faddeeva complex error function routine, and the Bessel function package AMOS. The amendments significantly improve both the speed, convergence, and precision of Multem 2. Increased stability allows to freely increase the cut-off value LMAX on the number of spherical vector wave functions and the cut-off value RMAX controlling the maximal length of reciprocal vectors taken into consideration. An immediate bonus is that Multem 3 can be reliably used to describe bound states in the continuum (BICs). To ensure convergence of the layer coupling scheme, it appears that appreciably larger values of convergence paramaters LMAX and RMAX are required than those reported in numerous published work in the past using Multem 2. We hope that Multem 3 will become a reliable and fast alternative to generic commercial software, such as COMSOL Multiphysics, CST Microwave Studio, or Ansys HFSS, and that it will become the code of choice for various optimization tasks for a large number of research groups. The improvements concern the core part of Multem 2, which is common to the extensions of Multem 2 for acoustic and elastic multiple scattering and to the original layer-Kohn-Korringa-Rostocker (LKKR) code. Therefore, the enhancements presented here can be readily applied to the above codes as well. The previous version of this program may be found at
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  • HYPIC: A fast hybrid EM PIC-MCC code for ion cyclotron resonance energization in cylindrical coordinate system
    Ion cyclotron resonance energization (ICRE) such as ion cyclotron resonance heating (ICRH) is widely applied to magnetic confinement fusion and high-power electric propulsion. Since ICRE involves cyclotron resonance processes, a kinetic model is required. Both conventional particle-in-cell (PIC) simulations and solving the Boltzmann equation require enormous computation and memory. The hybrid simulation incorporating of adiabatic electrons and PIC ions provides a viable solution for both a substantial reduction in computation and the inclusion of cyclotron resonance effects. Under the adiabatic electron approximation, we have developed a two-dimensional (r, z) hybrid electromagnetic (EM) PIC-MCC (Monte-Carlo collision) simulation program, named HYPIC. The advantages of HYPIC are the inclusion of ion kinetic effects, electrostatic (ES) and EM effects, and collisional effects of ions and electrons, with a small computation. The HYPIC program is able to fast simulate the antenna-plasma interactions and the ion cyclotron resonance energization and/or ion cyclotron resonance heating processes in linear devices, such as high-power electric propulsion, magnetic mirror, and field-reversed-configuration (FRC), etc.
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  • FeAmGen.jl: A Julia program for Feynman Amplitude Generation
    FeAmGen.jl is a Julia package designed to generate Feynman diagrams and their corresponding amplitudes for various processes in particle physics. Utilizing the models in the Universal Feynman Output (UFO) format and Qgraf for diagram generation, it also employs SymEngine.jl and Form for amplitude generation. Additionally, the package offers functions for constructing Feynman integral topologies. In conclusion, FeAmGen.jl provides usability and versatility for the high precision calculations of the perturbative quantum field theory in the Standard Model or in the extensions beyond it. The corresponding codes are available at
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  • New version of Hyper-Fractal Analysis application for estimating the fuzzy fractal dimension of hyperspectral satellite ocean color images
    In this work we present a new version of the Hyper-Fractal Analysis C# .Net application for estimating the fuzzy fractal dimension of hyperspectral images. As an example, we also present some initial results on 116D algal images obtained from the HYPSO-1 satellite.
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  • H-COUP Version 3: A program for one-loop corrected decays of any Higgs bosons in non-minimal Higgs models
    The H-COUP program is provided as a package of Fortran codes, which can compute observables related to Higgs bosons including radiative corrections in various extended Higgs sectors. We give a manual for the latest version of H-COUP (H-COUP_3.0), in which decay rates and branching ratios of all the Higgs bosons can be calculated at one-loop level in EW and Higgs interactions with QCD corrections in the Higgs singlet model, four types of the two Higgs doublet model with a softly-broken Z_2 symmetry, and the inert doublet model. The previous version (H-COUP_2.0) can evaluate those only for the standard model like Higgs boson with the mass of 125 GeV (h). In H-COUP_3.0, renormalized quantities are computed based on the gauge-independent on-shell renormalization scheme. The source code of H-COUP_3.0 can be downloaded via the following link: By using H-COUP_3.0, we can compare the precise measurements of the properties of h and direct searches for additional Higgs bosons with their predictions at one-loop level, by which we can reconstruct the structure of the Higgs sector.
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  • ModelFLOWs-app: Data-driven post-processing and reduced order modelling tools
    This article presents an innovative open-source software named ModelFLOWs-app,1 written in Python, which has been created and tested to generate precise and robust hybrid reduced order models (ROMs) fully data-driven. By integrating modal decomposition and deep learning in diverse ways, the software uncovers the fundamental patterns in dynamic systems. This acquired knowledge is then employed to enrich the comprehension of the underlying physics, reconstruct databases from limited measurements, and forecast the progression of system dynamics. The hybrid ROMs produced by ModelFLOWs-app combine experimental and numerical databases, serving as highly accurate alternatives to numerical simulations. As a result, computational expenses are significantly reduced, and the models become powerful tools for optimization and control in various applications. The exceptional capability of ModelFLOWs-app in developing reliable data-driven hybrid ROMs has been demonstrated across a wide range of applications, making it a valuable resource for understanding complex nonlinear dynamical systems and providing insights in diverse domains. This article presents the mathematical background, as well as a review of some examples of applications.
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  • GeoTaichi: A Taichi-powered high-performance numerical simulator for multiscale geophysical problems
    This study introduces GeoTaichi, an open-source high-performance numerical simulator designed for addressing multiscale geophysical problems. By leveraging the power of the Taichi parallel language, GeoTaichi maximizes the utilization of modern computer resources on multicore CPU and GPU architectures. It offers robust and reliable modules for the discrete element method (DEM), material point method (MPM), and coupled material point-discrete element method (MPDEM). These modules enable efficient solving of large-scale problems while being implemented in pure Python. The design philosophy of GeoTaichi focuses on creating a framework that is readable, extensible, and user-friendly. This paper highlights the coupling procedure of MPDEM, the code structures, and the most important features of GeoTaichi. Rigorous benchmark tests have been conducted to verify the validity and robustness of GeoTaichi. Additionally, the performance of GeoTaichi is compared with similar software tools in the field, underscoring a notable improvement in both computational efficiency and memory savings when compared to existing alternatives.
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  • DUGKS-GPU: An efficient parallel GPU code for 3D turbulent flow simulations using Discrete Unified Gas Kinetic Scheme
    This paper presents a parallel implementation of the Discrete Unified Gas Kinetic Scheme (DUGKS) on the GPU system using the CUDA Fortran and CUDA C++ programming languages. Firstly, we conducted an extensive revision of our original CPU-based code, resulting in a threefold decrease in memory usage. This new implementation is also paired with a novel approach to compute cell face flux using trilinear interpolation. It is shown analytically that the interpolation-based approach to flux calculation is more accurate compared to the one used in the original DUGKS. The initial simulation results using this new approach suggest that trilinear interpolation can reduce numerical errors on a coarse mesh. For example, in the case of the decaying Taylor-Green vortex flow at a 1283 mesh resolution, the relative numerical error in the energy dissipation rate at ⁎, using the spectral simulation result as the benchmark, is approximately 30% lower than that of the original implementation. The improved GPU DUGKS method is applied to laminar and turbulent flows in periodic and wall-bounded boundary configurations. A performance comparison of the GPU implementation is also presented and compared to the previous CPU implementation. A maximum speedup of 7.64x was achieved on a desktop-level GPU compared to a 32-core CPU. The strong scaling test, conducted on an eight-GPU node, demonstrated the efficient utilization of available multiple GPU resources by the code.
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  • ZZPolyCalc: An open-source code with fragment caching for determination of Zhang-Zhang polynomials of carbon nanostructures
    Determination of topological invariants of graphene flakes, nanotubes, and fullerenes constitutes a challenging task due to its time-intensive nature and exponential scaling. The invariants can be organized in a form of a combinatorial polynomial commonly known as the Zhang-Zhang (ZZ) polynomial or the Clar covering polynomial. We report here a computer program, ZZPolyCalc, specifically designed to compute ZZ polynomials of large carbon nanostructures. The curse of the exponential scaling is avoided for a broad class of nanostructures by employing a sophisticated bookkeeping algorithm, in which each fragment appearing in the recursive decomposition is stored in the cache repository of molecular fragments indexed by a hash of the corresponding adjacency matrix. Although exponential scaling persists for the remaining nanostructures, the computational time is reduced by a few orders of magnitude owing to efficient use of hash-based fragment bookkeeping. The provided benchmark timings show that ZZPolyCalc allows for treating much larger carbon nanostructures than previously envisioned.
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