Related papers: PyCOOL - a Cosmological Object-Oriented Lattice co…
The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…
We present a detailed strong and weak scaling analysis of PICCANTE, an open source, massively parallel, fully-relativistic Particle-In-Cell (PIC) code. PIC codes are widely used in plasma physics and astrophysics to study the cases where…
The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the…
This is the user manual for CosmoLattice, a modern package for lattice simulations of the dynamics of interacting scalar and gauge fields in an expanding universe. CosmoLattice incorporates a series of features that makes it very versatile…
In this work, we examine the performance, energy efficiency and usability when using Python for developing HPC codes running on the GPU. We investigate the portability of performance and energy efficiency between CUDA and OpenCL; between…
The presence of GPU from different vendors demands the Lattice QCD codes to support multiple architectures. To this end, Open Computing Language (OpenCL) is one of the viable frameworks for writing a portable code. It is of interest to find…
We present a new open-source, user-friendly toolkit of two codes$-$SFcollapse1D and NRPyCritCol$-$to study critical phenomena in the context of gravitational collapse. SFcollapse1D is a C/C++ tool designed to solve the problem of…
PyPartMC is a Pythonic interface to PartMC, a stochastic, particle-resolved aerosol model implemented in Fortran. Both PyPartMC and PartMC are free, libre, and open-source. PyPartMC reduces the number of steps and mitigates the effort…
This manual describes a set of utilities developed for Lattice QCD computations. They are collectively called QCDUtils. They comprise a set of Python programs each of them with a specific function: download gauge ensembles from the public…
PySymmPol is a Python package designed for efficient manipulation of symmetric polynomials. It provides functionalities for working with various types of symmetric polynomials, including elementary, homogeneous, monomial symmetric, (skew-)…
Focused optical fields are key to a multitude of applications involving light-matter interactions, such as optical microscopy, single-molecule spectroscopy, optical tweezers, lithography, or quantum coherent control. A detailed vectorial…
Since the advent of LISP, the fifth generation programming language has developed for decades. However, compared with the fourth generation programming language, the fifth generation programming language has not been widely used because of…
We present Kaolin, a PyTorch library aiming to accelerate 3D deep learning research. Kaolin provides efficient implementations of differentiable 3D modules for use in deep learning systems. With functionality to load and preprocess several…
We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…
We introduce PyMGal, a Python package for generating optical mock observations of galaxies from hydrodynamical simulations. PyMGal reads the properties of stellar particles from these simulations and generates spectral energy distributions…
Crystalline interfaces are of highly importance in many practical applications. To conduct effective simulation and analysis for coincident site lattice (CSL) interfaces, effective programmes are of high demand in building their CSL…
We present PyCCE, an open-source Python library to simulate the dynamics of spin qubits in a spin bath, using the cluster-correlation expansion (CCE) method. PyCCE includes modules to generate realistic spin baths, employing coupling…
We present a fast and user friendly exoplanet transit light curve modelling package PyTransit, implementing optimised versions of the Gimen\'ez and the Mandel & Agol transit models. The package offers an object-oriented Python interface to…
As camera pixel arrays have grown larger and faster, and optical microscopy techniques ever more refined, there has been an explosion in the quantity of data acquired during routine light microcopy. At the single-molecule level, analysis…
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…