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accupy is a Python library for accurately computing sums and (dot) products. It implements Kahan summation, Shewchuck's algorithm and summation in K-fold precision.
Matio is a library for reading and writing MAT files. It supports compressed MAT files, as well as newer (version 7.3) MAT files.
BTF (Block Triangular Form) is a C library for permuting a matrix into block upper triangular form.
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.
The Combinatorial BLAS (CombBLAS) is an extensible distributed-memory parallel graph library offering a small but powerful set of linear algebra primitives specifically targeting graph analytics.
This package provides a C++ interface to the NetCDF library for scientific data storage.
muParser is an extensible high performance math parser library. It is based on transforming an expression into a bytecode and precalculating constant parts of it.
The ELPA library provides efficient and scalable direct eigensolvers for symmetric matrices.
PETSc, the Portable, Extensible Toolkit for Scientific Computation, is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. It employs the MPI standard for all message-passing communication. petsc4py provides Python bindings to almost all functions of PETSc.
HDF5 is a suite that makes possible the management of extremely large and complex data collections.
libensemble is a complete toolkit for dynamic ensembles of calculations. It connects deciders to experiments or simulations.
This package provides a computer algebra system--an alternative to Wolfram.
Ceres Solver is a C++ library for modeling and solving large, complicated optimization problems. It is a feature rich, mature and performant library which has been used in production since 2010. Ceres Solver can solve two kinds of problems:
non-linear least squares problems with bounds constraints;
general unconstrained optimization problems.
IT++ is a C++ library of mathematical, signal processing and communication classes and functions. Its main use is in simulation of communication systems and for performing research in the area of communications. The kernel of the library consists of generic vector and matrix classes, and a set of accompanying routines. Such a kernel makes IT++ similar to MATLAB, GNU Octave or SciPy.
Open CASCADE is a set of libraries for the development of applications dealing with 3D CAD data or requiring industrial 3D capabilities. It includes C++ class libraries providing services for 3D surface and solid modeling, CAD data exchange, and visualization. It is used for development of specialized software dealing with 3D models in design (CAD), manufacturing (CAM), numerical simulation (CAE), measurement equipment (CMM), and quality control (CAQ) domains.
This is the certified version of the Open Cascade Technology (OCCT) library.
This is a header-only C++ library for calculating analytical derivatives and taylor expansions of composite functions.
Cbc (Coin-or branch and cut) is a mixed integer linear programming solver written in C++. It can be used as a library or as a standalone executable.
CUDD is a library for manipulating decision diagrams. It supports binary decision diagrams, algebraic decision diagrams, and zero-suppressed binary decision diagrams.
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.
Boolector is a SMT solver for the theories of fixed-size bit-vectors, arrays and uninterpreted functions.
HDF4 is a library and multi-object file format for storing and managing data between machines. HDF4 is an older hierarchical data format, incompatible with HDF5.
HighFive is a header-only C++11 friendly interface for libhdf5. It supports STL vector/string, Boost::UBLAS, Boost::Multi-array and Xtensor; and handles C++ from/to HDF5 with automatic type mapping. HighFive does not require additional libraries.
This package provides a command-line interface to Mathics3.
The C code of lrslib implements the reverse search algorithm for vertex enumeration and convex hull problems. Its input file format is compatible with cddlib. All computations are done exactly in either multiple precision or fixed integer arithmetic. Output is not stored in memory, so even problems with very large output sizes can sometimes be solved.