Datasets associated with articles published in Computer Physics Communications

  • New version of FDTD with GFM program in Schwarzschild space-time

    Finite difference time domain (FDTD) method in curved space–time is developed by filling the flat space–time with an equivalent medium. Green function Method (GFM) in curved space–time is solving transport equations. This is a new version of FDTD and GFM in so…
  • GR@PPA 2.9: Radiation matching for simulating photon production processes in hadron collisions

    We release an event generator package GR@PPA 2.9, for simulating the direct (single) photon and diphoton (double photon) production in hadron collisions. The included programs were used in our previous studies, in which we have explicitly shown large from The…
  • CCOMP: An efficient algorithm for complex roots computation of determinantal equations

    In this paper a free Python algorithm, entitled CCOMP (Complex roots COMPutation), is developed for the efficient computation of complex roots of determinantal equations inside a prescribed complex domain. The key to the method presented is the efficient of in…
  • BASDet: Bayesian Approach(es) for Structure Determination from Single Molecule X-ray Diffraction Images

    X-ray free electron lasers (XFEL) are expected to enable molecular structure determination in single molecule diffraction experiments. In this paper, we describe an implementation of two orthogonal Bayesian approaches, previously introduced in Walczak and of a…
  • Quantum lattice model solver HΦ

    HΦ [aitch-phi] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the it…
  • OpenMP, OpenMP/MPI, and CUDA/MPI C programs for solving the time-dependent dipolar Gross-Pitaevskii equation

    We present new versions of the previously published C and CUDA programs for solving the dipolar Gross–Pitaevskii equation in one, two, and three spatial dimensions, which calculate stationary and non-stationary solutions by propagation in imaginary or real are…
  • SPILADY: A Parallel CPU and GPU Code for Spin-Lattice Magnetic Molecular Dynamics Simulations

    Spin–lattice dynamics generalizes molecular dynamics to magnetic materials, where dynamic variables describing an evolving atomic system include not only coordinates and velocities of atoms but also directions and magnitudes of atomic magnetic moments (spins).…
  • epsilon: A tool to find a canonical basis of master integrals

    In 2013, Henn proposed a special basis for a certain class of master integrals, which are expressible in terms of iterated integrals. In this basis, the master integrals obey a differential equation, where the right hand side is proportional to ϵ in d=4−2ϵ An…
  • TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

    We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (DFT). In particular, TRIQS/DFTTools together with TRIQS allows an efficient of a…
  • micrOMEGAs5.0: Freeze-in

    We present a major upgrade of the micrOMEGAs dark matter code to compute the abundance of feebly interacting dark matter candidates through the freeze-in mechanism in generic extensions of the Standard Model of particle physics. We develop the necessary in to…

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