Datasets associated with articles published in Computer Physics Communications

SpM: Sparse modeling tool for analytic continuation of imaginarytime Green's function
We present SpM, a sparse modeling tool for the analytic continuation of imaginarytime Green’s function, licensed under GNU General Public License version 3. In quantum Monte Carlo simulation, dynamic physical quantities such as singleparticle and magnetic be… 
QSWalk: a Mathematica package for quantum stochastic walks on arbitrary graphs
We present a Mathematica package, QSWalk, to simulate the time evaluation of Quantum Stochastic Walks (QSWs) on arbitrary directed and weighted graphs. QSWs are a generalization of continuous time quantum walks that incorporate both coherent and incoherent and… 
2HDMC — twoHiggsdoublet model calculator
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract We describe version 1.0.6 of the public C++ code 2HDMC, which can be used to perform calculations in a general, CPconserving, model (2HDM). a… 
Vbfnlo: A parton level Monte Carlo for processes with electroweak bosons
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract Vbfnlo is a fully flexible parton level Monte Carlo program for the simulation of vector boson fusion, double and triple vector boson in at in… 
pyIAST: Ideal adsorbed solution theory (IAST) Python package
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract Ideal adsorbed solution theory (IAST) is a widelyused thermodynamic framework to readily predict mixedgas adsorption isotherms from a set of… 
Finding linear dependencies in integrationbyparts equations: A Monte Carlo approach
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract The reduction of a large number of scalar integrals to a small set of master integrals via Laporta’s algorithm is common practice in It is a a… 
GMXPBSA 2.0: A GROMACS tool to perform MM/PBSA and computational alanine scanning
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract GMXPBSA 2.0 is a userfriendly suite of Bash/Perl scripts for streamlining MM/PBSA calculations on structural ensembles derived from GROMACS… 
TIM, a raytracing program for METATOY research and its dissemination
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract TIM (The Interactive METATOY) is a raytracing program specifically tailored towards our research in METATOYs, which are optical components to… 
Parallel grid library for rapid and flexible simulation development
This program has been imported from the CPC Program Library held at Queen's University Belfast (19692018) Abstract We present an easy to use and flexible grid library for developing highly scalable parallel simulations. The distributed cartesian grid mesh… 
openPSTD: the open source pseudospectral timedomain method for acoustic propagation
An open source implementation of the Fourier pseudospectral timedomain (PSTD) method for computing the propagation of sound is presented, which is geared towards applications in the built environment. Being a wavebased method, PSTD captures phenomena like in…