Datasets associated with articles published in Computer Physics Communications

New version of FDTD with GFM program in Schwarzschild spacetime
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 Xray Diffraction Images
Xray 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 [aitchphi] is a program package based on the Lanczostype eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with twobody interactions, including the Heisenberg model, the Kitaev model, the it… 
OpenMP, OpenMP/MPI, and CUDA/MPI C programs for solving the timedependent dipolar GrossPitaevskii 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 nonstationary solutions by propagation in imaginary or real are… 
SPILADY: A Parallel CPU and GPU Code for SpinLattice 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… 
N2HDECAY: Higgs boson decays in the different phases of the N2HDM
The program N2HDECAY calculates the branching ratios and decay widths of the Higgs bosons of the NexttoTwoHiggsDoublet Model (N2HDM). The code incorporates the dominant higherorder effects by including QCD corrections and offshell decay modes. The N2HDM… 
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…