This package provides the eXtensible Data Model and Format (XDMF) C++ library.

HDF5 is a suite that makes possible the management of extremely large and complex data collections.

SLEPc is a software library for the solution of large sparse eigenproblems on parallel computers. It can be used for the solution of linear eigenvalue problems formulated in either standard or generalized form, as well as other related problems such as the singular value decomposition. The emphasis of the software is on methods and techniques appropriate for problems in which the associated matrices are sparse, for example, those arising after the discretization of partial differential equations.

DUNE, the Distributed and Unified Numerics Environment is a modular toolbox for solving partial differential equations (PDEs) with grid-based methods. It supports the easy implementation of methods like Finite Elements (FE), Finite Volumes (FV), and also Finite Differences (FD).

This package contains the DUNE UG grid classes.

The double-conversion library provides binary-decimal and decimal-binary routines for IEEE doubles. The library consists of efficient conversion routines that have been extracted from the V8 JavaScript engine.

This package provides a free LDL factorisation routine for quasi-definite linear systems: Ax=b.

ALUGrid is an adaptive, loadbalancing, unstructured implementation of the DUNE grid interface supporting either simplices or cubes.

SuperLU_DIST is a parallel extension to the serial SuperLU library. It is targeted for distributed memory parallel machines. SuperLU_DIST is implemented in ANSI C, and MPI for communications.

CyLP is a Python interface to COIN-OR’s Linear and mixed-integer program solvers (CLP, CBC, and CGL). CyLP’s unique feature is that you can use it to alter the solution process of the solvers from within Python. For example, you may define cut generators, branch-and-bound strategies, and primal/dual Simplex pivot rules completely in Python.

Elemental is a modern C++ library for distributed-memory dense and sparse-direct linear algebra, conic optimization, and lattice reduction.

GNU C-Graph is a tool for demonstrating the theory of convolution. Thus, it can serve as an excellent aid to students of signal and systems theory in visualizing the convolution process. Rather than forcing the student to write code, the program offers an intuitive interface with interactive dialogs to guide them.

Gnuplot is a portable command-line driven graphing utility. It was originally created to allow scientists and students to visualize mathematical functions and data interactively, but has grown to support many non-interactive uses such as web scripting. It is also used as a plotting engine by third-party applications like Octave.

GNU XaoS is a graphical program that generates fractal patterns and allows you to zoom in and out of them infinitely in a fluid, continuous manner. It also includes tutorials that help to explain how fractals are built. It can generate many different fractal types such as the Mandelbrot set.

nauty (No AUTomorphisms, Yes?) is a set of procedures for computing automorphism groups of graphs and digraphs.

nauty computes graph information in the form of a set of generators, the size of the group, and the orbits of the group; it can also produce a canonical label. The nauty suite is written in C and comes with a command-line interface, a collection of command-line tools, and an Application Programming Interface (API).

This package provides the static libraries required to run programs compiled against the nauty library.

GNU Dionysus is a convenient system for quickly retrieving the values of mathematical constants used in science and engineering. Values can be searched using a simple command-line tool, choosing from three databases: universal constants, atomic numbers, and constants related to semiconductors.

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.

s(CASP) is a top-down interpreter for ASP programs with constraints.

SLEPc is a software library for the solution of large sparse eigenproblems on parallel computers. It can be used for the solution of linear eigenvalue problems formulated in either standard or generalized form, as well as other related problems such as the singular value decomposition. The emphasis of the software is on methods and techniques appropriate for problems in which the associated matrices are sparse, for example, those arising after the discretization of partial differential equations.

This package provides the C library of RBio. It can be used for reading and writing sparse matrices in the Rutherford/Boeing format.

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.

Deal.II is a C++ program library targeted at the computational solution of partial differential equations using adaptive finite elements. The main aim of deal.II is to enable rapid development of modern finite element codes, using among other aspects adaptive meshes and a wide array of tools often used in finite element programs.

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.

LAPACK is a Fortran 90 library for solving the most commonly occurring problems in numerical linear algebra.

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.