Search results for "Computation"
showing 10 items of 7362 documents
Pair potential calculation of molecular associations: a vectorized version
2019
Abstract The program AMYRVF is a vectorized and largely modified version of a previous program called AMYR for calculating molecular associations by means of Fraga's pair-wise atom-atom potential. Three new minimization procedures have been implemented as well as other improvements such as the inclusion of new pair-wise dispersion energy terms with damping functions, and the calculation of topological indices. Benchmark tests have been carried out on an IBM 3090 150E VF; the timings for the new vector... Title of program: AMYRVF Catalogue Id: ACBG_v1_0 Nature of problem This program determines the optimum separation and relative orientation of two interacting molecular systems through a min…
AMYR 2: A new version of a computer program for pair potential calculation of molecular associations
2019
Abstract AMYR is a computer program for the calculation of molecular associations using Fraga's pairwise atom - atom potential. The interaction energy is evaluated through a 1/R expansion. The electrostatic energy is calculated through either the one-centre-per atom or the three-centres-per atom model by Hunter and Sanders. A pairwise dispersion energy term is included in the potential and corrected by a damping function. The program carries out energy minimizations through variable metric methods. Th... Title of program: AMYR 2 Catalogue Id: ADIW_v1_0 Nature of problem The program determines the optimum separation and relative orientation of two interacting molecular systems through a mini…
Solution of self-consistent equations for the N3LO nuclear energy density functional in spherical symmetry. The program hosphe (v1.02)
2019
Abstract We present solution of self-consistent equations for the N^3 LO nuclear energy density functional. We derive general expressions for the mean fields expressed as differential operators depending on densities and for the densities expressed in terms of derivatives of wave functions. These expressions are then specified to the case of spherical symmetry. We also present the computer program hosphe (v1.02), which solves the self-consistent equations by using the expansion of single-particle wave... Title of program: HOSPHE (v1.02) Catalogue Id: AEGK_v1_0 Nature of problem The nuclear mean-field methods constitute principal tools of a description of nuclear states in heavy nuclei. With…
Axially deformed solution of the Skyrme-Hartree–Fock–Bogoliubov equations using the transformed harmonic oscillator basis (II) hfbtho v2.00d: A new v…
2019
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We describe the new version 2.00d of the code hfbtho that solves the nuclear Skyrme-Hartree–Fock (HF) or Skyrme-Hartree–Fock–Bogoliubov (HFB) problem by using the cylindrical transformed deformed harmonic oscillator basis. In the new version, we have implemented the following features: (i) the modified Broyden method for non-linear problems, (ii) optional breaking of reflection symmetry, (iii) calculation of axial multipole moments, (iv) finite temperature formalism for the HFB method, (v) li... Title of program: HFBTHO v2.00d Catalogue Id: ADUI_v2_0 Nature of problem The solu…
Numerical evaluation of iterated integrals related to elliptic Feynman integrals
2021
We report on an implementation within GiNaC to evaluate iterated integrals related to elliptic Feynman integrals numerically to arbitrary precision within the region of convergence of the series expansion of the integrand. The implementation includes iterated integrals of modular forms as well as iterated integrals involving the Kronecker coefficient functions g^(k) (z, τ). For the Kronecker coefficient functions iterated integrals in dτ and dz are implemented. This includes elliptic multiple polylogarithms.
Massively parallel computation of atmospheric neutrino oscillations on CUDA-enabled accelerators
2018
The computation of neutrino flavor transition amplitudes through inhomogeneous matter is a time-consuming step and thus could benefit from optimization and parallelization. Next to reliable parameter estimation of intrinsic physical quantities such as neutrino masses and mixing angles, these transition amplitudes are important in hypothesis testing of potential extensions of the standard model of elementary particle physics, such as additional neutrino flavors. Hence, fast yet precise implementations are of high importance to research. In the recent past, massively parallel accelerators such as CUDA-enabled GPUs featuring thousands of compute units have been widely adopted due to their supe…
Integral reduction with Kira 2.0 and finite field methods
2021
We present the new version 2.0 of the Feynman integral reduction program Kira and describe the new features. The primary new feature is the reconstruction of the final coefficients in integration-by-parts reductions by means of finite field methods with the help of FireFly. This procedure can be parallelized on computer clusters with MPI. Furthermore, the support for user-provided systems of equations has been significantly improved. This mode provides the flexibility to integrate Kira into projects that employ specialized reduction formulas, direct reduction of amplitudes, or to problems involving linear system of equations not limited to relations among standard Feynman integrals. We show…
PArthENoPE reloaded
2018
We describe the main features of a new and updated version of the program PArthENoPE, which computes the abundances of light elements produced during Big Bang Nucleosynthesis. As the previous first release in 2008, the new one, PArthENoPE 2.0, is publicly available and distributed from the code site, http://parthenope.na.infn.it. Apart from minor changes, which will be also detailed, the main improvements are as follows. The powerful, but not freely accessible, NAG routines have been substituted by ODEPACK libraries, without any significant loss in precision. Moreover, we have developed a Graphical User Interface (GUI) which allows a friendly use of the code and a simpler implementation of …
The SISCone jet algorithm optimised for low particle multiplicities
2019
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The SISCone jet algorithm is a seedless infrared-safe cone jet algorithm. There exists an implementation which is highly optimised for a large number of final state particles. However, in fixed-order perturbative calculations with a small number of final state particles, it turns out that the computer time needed for the jet clustering of this implementation is comparable to the computer time of the matrix elements. This article reports on an implementation of the SISCone algorithm optimised ... Title of program: siscone_parton Catalogue Id: AELF_v1_0 Nature of problem Cluster…
Solution of the Skyrme–Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) hfodd (v2.49t): A new version of …
2019
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We describe the new version (v2.49t) of the code hfodd which solves the nuclear Skyrme–Hartree–Fock (HF) or Skyrme–Hartree–Fock–Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin mixing and projection, (ii) the finite-temperature formalism for the HFB and HF+BCS methods, (iii) the Lipkin translational energy correction method, (iv) the calculation of the shell correction. A... Title of program: hfodd (v2.49t) Catalogue Id: ADFL_v3_0 Nature of problem The nuc…