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This package provides common Qt GUI elements for authenticating with ONCat (ORNL Neutron Catalog), including login dialogs and session management widgets.
Cytnx is a tensor network library designed for quantum physics simulations using tensor network algorithms, offering the following features:
Most of the APIs are identical in C++ and Python, enabling seamless transitions between the two for prototyping and production.
Cytnx APIs share very similar interfaces with popular libraries such as NumPy, SciPy, and PyTorch, minimizing the learning curve for new users.
Cytnx supports multi-device operations (CPUs/GPUs) directly at the base container level. Both the containers and linear algebra functions share consistent APIs regardless of the devices on which the input tensors are stored, similar to PyTorch.
For algorithms in physics, Cytnx provides powerful tools such as UniTensor, Network, Symmetry etc. These objects are built on top of Tensor objects, specifically aiming to reduce the developing work of Tensor network algorithms by simplifying the user interfaces.
This library is based on papaer - The Cytnx library for tensor networks; Kai-Hsin Wu, Chang-Teng Lin, Ke Hsu, Hao-Ti Hung, Manuel Schneider, Chia-Min Chung, Ying-Jer Kao, Pochung Chen; https://doi.org/10.21468/SciPostPhysCodeb.53-r1.0.
Euphonic is a Python package for calculating phonon bandstructures and simulating inelastic neutron scattering (INS) from force constants. It can read output from CASTEP and Phonopy and calculate phonon frequencies, eigenvectors, and structure factors.
Mantid is a framework for the reduction and analysis of neutron and muon scattering data. It provides a collection of algorithms for data processing, visualization tools, and interfaces for instrument scientists and users at neutron and muon facilities worldwide.
Optional GUI extensions such as python-mslice and python-shiver appear in the Workbench Interfaces menu when installed alongside Mantid. Script libraries like python-mvesuvio can be imported in Workbench's script editor.
Brille is a C++ library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone. It provides Python bindings via pybind11 for use in phonon calculations and inelastic neutron scattering simulations.
This package provides a tool for performing slices and cuts of multi-dimensional data produced by Mantid.
This package provides Python wrappers for Fortran routines used to perform Bayesian analysis on quasi-elastic neutron-scattering data. The original Fortran code was written by Dr. Devinder Sivia in the 1980s.
QuickBayes provides Bayesian analysis tools for analyzing neutron scattering data. It is designed for use with the Mantid framework for neutron and muon data analysis.
Shiver (Spectroscopy Histogram Visualizer for Event Reduction) is a desktop application for examining Time of Flight inelastic neutron data from single crystal, direct geometry experiments. It integrates with Mantid Workbench and appears in the Interfaces menu when both packages are installed.
The ALPS (Algorithms and Libraries for Physics Simulations) package provides a set of components for numerical simulations of condensed matter systems, including bosonic, fermionic, and spin systems with exact diagonalization, classical and quantum Monte Carlo, dynamical mean field theory, and density matrix renormalization group methods. It contains both ready to use applications and C++ library for simplifying the development of such components.
MVesuvio provides optimized analysis procedures for neutron scattering data from the VESUVIO spectrometer. It is a script library meant to be imported in Mantid Workbench's script editor (import mvesuvio as mv), not a GUI application.
PyCifRW provides support for reading and writing CIF (Crystallographic Information File) format files. CIF is the standard format for crystallographic data exchange endorsed by the International Union of Crystallography.
SeeK-path is a Python module to obtain band paths in the Brillouin zone of crystal structures. It automatically detects Bravais lattice types and generates k-point labels and band paths following crystallographic conventions.
QuTiP is a library for simulating the dynamics of closed and open quantum systems. It aims to provide numerical simulations of a wide variety of quantum mechanical problems, including those with Hamiltonians and/or collapse operators with arbitrary time-dependence, commonly found in a wide range of physics applications.
This package provides the IUCr (International Union of Crystallography) core CIF dictionary and supplementary dictionaries which COMCIFS manages. Dictionary definitions are described using DDLm attributes, which are themselves described in 'ddl.dic'.
GOFit: Global Optimization for Fitting problems.
The name Cyten is pronounced like sci-ten, and refers to scientific tensor networks implmented in C++ with a focus on the provided Python bindings, and the python-style library in modern C++.
Spglib is a library for finding and handling crystal symmetries written in C. This package provides Python bindings for spglib, allowing Python programs to find symmetry operations, identify space groups, and perform other symmetry-related operations on crystal structures.
TeNPy is a Python library for the simulation of strongly correlated quantum systems with tensor networks.
The philosophy of this library is to get a new balance of a good readability and usability for new-comers, and at the same time powerful algorithms and fast development of new algorithms for experts. For good readability, we include an extensive documentation next to the code, both in Python doc strings and separately as "user guides", as well as simple example codes and even toy codes, which just demonstrate various algorithms (like TEBD and DMRG) in ~100 lines per file.
This package provides a compiler and assembler that target the Piet graphical programming language.
piet-assembler converts Piet assembler instructions (e.g., push, add, switch, outn) and directives into an executable netpbm image of the corresponding Piet program.
piet-compiler compiles a C-like high-level language into assembly source understood by piet-assembler. It supports common arithmetic and boolean logic operators (though not bitwise manipulation), flow control (if, for, while), recursive functions, in-line assembler, and input/output intrinsics. The only supported data type is the integer.
The language is documented only by the compiler's Perl source code and the included samples.
Npiet is an interpreter for the Piet programming language. Instead of text, Piet programs are pictures. Commands are determined based on changes in color.
This package includes:
npiet, a Piet interpreter with debugging capabilitiesnpiet-foogol, a program that builds a Piet program from Foogol, an Algol-like languagenpietedit, an editor for Piet programs.
pkgconf is a program which helps to configure compiler and linker flags for development libraries. It is similar to pkg-config from freedesktop.org. libpkgconf is a library which provides access to most of pkgconf's functionality, to allow other tooling such as compilers and IDEs to discover and use libraries configured by pkgconf.
pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test test.c `pkg-config --libs --cflags glib-2.0` for instance, rather than hard-coding values on where to find glib (or other libraries). It is language-agnostic, so it can be used for defining the location of documentation tools, for instance.
pkgconf is a program which helps to configure compiler and linker flags for development libraries. It is similar to pkg-config from freedesktop.org. libpkgconf is a library which provides access to most of pkgconf's functionality, to allow other tooling such as compilers and IDEs to discover and use libraries configured by pkgconf.