Featured Open Source Projects

A rich ecosystem of high-performance code

Fortran libraries for linear algebra, optimization, root-finding etc.#

2DECOMP&FFT

Library for 2D pencil decomposition and distributed Fast Fourier Transform

Tags: fft parallel distributed-memory openmpi

ARPACK

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Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

Tags: eigenvalue eigenvector singular value decomposition svd

bspline-fortran

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Multidimensional B-Spline interpolation of data on a regular grid

Tags: spline interpolation extrapolation integration integral

DBCSR

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Distributed block compresseed sparse row matrix library

Tags: linear-algebra parallel mpi openmp cuda hip

ddeabm

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Modern Fortran implementation of the DDEABM Adams-Bashforth algorithm

Tags: ode adams-bashforth

ddPCM

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A fast domain decomposition based implementation of the COSMO solvation model

Tags: continuum-solvation cosmo pcm cpcm

DelaunaySparse

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Multivariate Interpolation via a Sparse Subset of the Delaunay Triangulation in Medium to High Dimensions.

Tags: interpolation openmp acm-toms

dop853

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Modern Fortran Edition of Hairer’s DOP853 ODE Solver

Tags: ode runge kutta

ElmerFEM

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Finite element software for numerical solution of partial differential equations

Tags: pde fe

ELPA

Eigenvalue Solvers for Petaflop Applications

Tags: mpi gpu

FATODE

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A Fortran library for the integration of ordinary differential equations with direct and adjoint sensitivity analysis capabilities

Tags: ode-solver

fgsl

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Fortran interface to the GNU Scientific Library

FLINT

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Fortran Library for numerical INTegration of differential equations

Tags: ode runge kutta

fmm2d

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Compute N-body interactions governed by the Laplace and Helmholtz equations, to a specified precision, in two dimensions, on a multi-core shared-memory machine.

Tags: fast-multipole-method

FMM3D

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Compute N-body interactions governed by the Laplace and Helmholtz equations, to a specified precision, in three dimensions, on a multi-core shared-memory machine.

Tags: fast-multipole-method

FOODIE

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Fortran Object-Oriented Differential-equations Integration Environment

Tags: ode pde euler runge kutta

fortranlib

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Collection of personal scientific routines in Fortran

Tags: solver integral integrate interpolation histogram constants hdf5 error random posix angles probability stokes vectors

Futility

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Fortran utilities including unit test harness, arbitrary length strings, parameter list objects, timers, geometry definitions, file wrappers, linear algebra tools, and parallel computing support

GALAHAD

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Modules for nonlinear optimization

Tags: least squares active set quadratic-programming interior point convex-programming linear-programming

HANDE

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Open source stochastic quantum chemistry

Tags: qmc electronic-structure

Incompact3d

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Solver for the incompressible Navier-Stokes equations

LAPACK

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Routines for numerical linear algebra

Tags: blas linear-algebra

libnegf

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A general library for Non Equilibrium Green’s Functions

Tags: transport electronic-structure

librsb

A shared memory parallel sparse matrix computations library for the Recursive Sparse Blocks format implementing the Sparse BLAS standard

Tags: linear-algebra openmp

Los Alamos Grid Toolbox (LaGriT)

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a library of user callable tools that provide mesh generation, mesh optimization and dynamic mesh maintenance

MapTran3D

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Geodesy, 3D coordinate conversions for ECEF, ENU, ECI, …

neural-fortran

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A parallel neural net microframework.

Tags: back propagation coarray

NTPoly

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A massively parallel library for computing the functions of sparse matrices.

Tags: mpi

NUFFT

Non-Uniform Fast Fourier Transforms

Tags: non-uniform-fft fft

NumDiff

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a modern Fortran interface for computing the Jacobian (derivative) matrix of m nonlinear functions which depend on n variables

Tags: finite difference

Numerical methods in fortran

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Solving linear, nonlinear equations, ordinary differential equations

Tags: ode pde integral stochastic quadrature plotting

ODEPACK

A Systematized Collection of ODE Solvers (FORTRAN 77)

Tags: ode runge kutta adams-bashforth

OpenBLAS

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Optimized BLAS library based on GotoBLAS2

Tags: blas linear-algebra

OpenFFT

Open source parallel package for computing multi-dimensional Fast Fourier Transforms (3-D and 4-D FFTs)

Tags: fft openmpi domain-decomposition-method

ParaMonte

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A general-purpose high-performance MPI/Coarray-parallel Monte Carlo simulation library implemented in Fortran 2018 with interfaces to C/C++/Fortran/MATLAB/Python

Tags: parallel mpi coarray monte carlo mcmc c cpp matlab python statistics bayesian stochastic optimization sampling integration machine learning

PCHIP

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Piecewise Cubic Hermite Interpolation Package

Tags: hermite spline interpolation integration integral

PENF

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Provides portable kind-parameters and many useful procedures to deal with them

Tags: kinds integer real ieee floating point floats precision

PoisFFT

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Library to solve Poisson equation on a uniform Cartesian grid using the Fast Fourier Transform

Tags: fft poisson

PROPACK

Software package for computing the singular value decomposition of large and sparse or structured matrices

Tags: linear-algebra svd lanczos-bidiagonalization openmp

PSBLAS

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Parallel Sparse BLAS

Tags: linear-algebra mpi

QMD-PROGRESS

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Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.

Tags: mpi

QNSTOP

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Quasi-Newton Algorithm for Stochastic Optimization.

Tags: quasi-newton-optimization stochastic-optimization acm-toms

quaff

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Quantities for Fortran. Make math with units more convenient

regridpack

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Suite of Fortran routines for interpolating values between one-, two-, three-, and four-dimensional arrays defined on uniform or nonuniform orthogonal grids

Tags: linear cubic interpolation

rng_fortran

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Pseudo random number generator in Fortran, internally using xoroshiro128+

Tags: uniform normal poisson distributed

RPNcalc

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Reverse Polish Notation calculator for interactive console use

SciFortran

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collection of fortran modules and procedures for scientific calculations.

SHTOOLS

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A Fortran-95/Python library that can be used to perform spherical harmonic transforms

Tags: spectral analysis Slepian bases gravitational magnetic field openmp

SLICOT

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A Fortran subroutines library for systems and control

slsqp

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SLSQP nonlinear constrained optimizer

Tags: nonlinear-programming equality inequality constraints

Tapenade

A tool for automatic differentiation (forward/reverse) of Fortran and c programs

Tags: algorithmic derivative ad

VTMOP

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Solver for Blackbox Multiobjective Optimization Problems.

Tags: global-optimization simulation-optimization blackbox-optimization multiobjective-optimization multicriteria-optimization response-surface-methodology acm-toms

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