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METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill-reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes.
The C-library cddlib implements the Double Description Method of Motzkin et al. for generating all vertices (i.e. extreme points) and extreme rays of a general convex polyhedron given by a system of linear inequalities in arbitrary dimension. It can also be used for the converse operation of computing convex hulls.
libflame is a portable library for dense matrix computations, providing much of the functionality present in LAPACK, developed by current and former members of the SHPC group in the Institute for Computational Engineering and Sciences at The University of Texas at Austin. libflame includes a compatibility layer, lapack2flame, which includes a complete LAPACK implementation.
MUMPS (MUltifrontal Massively Parallel sparse direct Solver) solves a sparse system of linear equations A x = b using Gaussian elimination.
CAMD is a set of routines for ordering a sparse matrix prior to Cholesky factorization (or for LU factorization with diagonal pivoting). It is a variant of AMD which has the the option to apply constraints to the ordering.
ExprTk is a C++ headers only library for mathematical expression parsing and evaluation.
Qhull computes the convex hull, Delaunay triangulation, Voronoi diagram, halfspace intersection about a point, furthest-site Delaunay triangulation, and furthest-site Voronoi diagram. The source code runs in 2-d, 3-d, 4-d, and higher dimensions. Qhull implements the Quickhull algorithm for computing the convex hull. It handles roundoff errors from floating point arithmetic. It computes volumes, surface areas, and approximations to the convex hull.
Qhull does not support triangulation of non-convex surfaces, mesh generation of non-convex objects, medium-sized inputs in 9-D and higher, alpha shapes, weighted Voronoi diagrams, Voronoi volumes, or constrained Delaunay triangulations.
Calc is an arbitrary precision arithmetic system that uses a C-like language. It can be used as a calculator, an algorithm prototyper and as a mathematical research tool, and it comes with built in mathematical and programmatic functions.
On modern CPUs and GPUs, integer division is several times slower than multiplication. FXdiv implements an algorithm to replace an integer division with a multiplication and two shifts. This algorithm improves performance when an application performs repeated divisions by the same divisor.
The General Cartographic Transformation Package (GCTP) is a system of software routines designed to permit the transformation of coordinate pairs from one map projection to another. The GCTP is the standard computer software used by the National Mapping Division for map projection computations.
CLP is a high quality linear programming solver. Its main strengths are its dual and primal Simplex algorithms. It also has a barrier algorithm for linear and quadratic objectives. There are limited facilities for nonlinear and quadratic objectives using the Simplex algorithm.
DUNE, the Distributed and Unified Numerics Environment is a modular toolbox for solving partial differential equations (PDEs) with grid-based methods.
This is the iterative solver template library which provides generic sparse matrix/vector classes and a variety of solvers based on these classes. A special feature is the use of templates to exploit the recursive block structure of finite element matrices at compile time. Available solvers include Krylov methods, (block-) incomplete decompositions and aggregation-based algebraic multigrid.
This package provides a Cython interface to the C++ library primecount.
This package contains software that will allow you to use existing neural network potential parameterizations to predict energies and forces (with standalone tools but also in conjunction with the MD software LAMMPS). In addition it is possible to train new neural network potentials with the provided training tools.
Gecode is a C++ toolkit for developing constraint-based systems and applications. It provides a modular and extensible solver.
SUNDIALS is a family of software packages implemented with the goal of providing robust time integrators and nonlinear solvers that can easily be incorporated into existing simulation codes.
NetCDF is an interface for scientific data access and a software library that provides an implementation of the interface. The netCDF library defines a machine-independent format for representing scientific data. Together, the interface, library, and format support the creation, access, and sharing of scientific data.
Vc provides portable, zero-overhead C++ types for explicitly data-parallel programming. It is a library designed to ease explicit vectorization of C++ code. Its types enable explicitly stating data-parallel operations on multiple values. The parallelism is therefore added via the type system. Vc has an intuitive API and provides portability between different compilers and compiler versions as well as portability between different vector instruction sets. Thus, an application written with Vc can be compiled for:
AVX and AVX2
SSE2 up to SSE4.2 or SSE4a
Scalar
MIC
NEON (in development)
NVIDIA GPUs / CUDA (in development)
Bitwise is a multi base interactive calculator supporting dynamic base conversion and bit manipulation. It's a handy tool for low level hackers, kernel developers and device drivers developers.
Some of the features include:
Interactive ncurses interface.
Command line calculator supporting all bitwise operations.
Individual bit manipulator.
Bitwise operations such as NOT, OR, AND, XOR, and shifts.
mCRL2 (micro Common Representation Language 2) is a formal specification language for describing concurrent discrete event systems. Its toolset supports analysis and automatic verification, linearisation, simulation, state-space exploration and generation, and tools to optimise and analyse specifications. Also, state spaces can be manipulated, visualised and analysed.
SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines. The library is written in C and is callable from either C or Fortran. The library routines perform an LU decomposition with partial pivoting and triangular system solves through forward and back substitution. The library also provides threshold-based ILU factorization preconditioners.
This package provides a C++ interface to the NetCDF library for scientific data storage.
Libqalculate is a multi-purpose cli desktop calculator and library. It provides basic and advanced functionality. Features include customizable functions, unit calculations, and conversions, physical constants, symbolic calculations (including integrals and equations), arbitrary precision, uncertainty propagation, interval arithmetic, plotting and a user-friendly cli.
This library implements the math.h functions in fixed point (16.16) format.