Numerical projects#
Fortran libraries for linear algebra, optimization, root-finding, etc.#
Library for 2D pencil decomposition and distributed Fast Fourier Transform
Tags: fft parallel distributed-memory mpi
Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
A library for building, training and testing feed-forward neural networks.
Multidimensional B-Spline interpolation of data on a regular grid
Distributed block compresseed sparse row matrix library
Modern Fortran implementation of the DDEABM Adams-Bashforth algorithm
A fast domain decomposition based implementation of the COSMO solvation model
Tags: continuum-solvation cosmo pcm cpcm
Multivariate Interpolation via a Sparse Subset of the Delaunay Triangulation in Medium to High Dimensions.
Tags: interpolation openmp acm-toms
Computes derivatives, gradients and Jacobians of Fortran functions/subroutines using forward automatic differentiation.
A library providing a derived type that enables forward and reverse mode automatic differentiation.
Modern Fortran Edition of Hairer’s DOP853 ODE Solver
a high-performance library designed for parallel data transpositions and optional Fast Fourier Transforms (FFTs) in multidimensional computing environments.
Tags: mpi cuda fft parallel distributed-memory
Finite element software for numerical solution of partial differential equations
Easy Neural Networks for Use in Fortran
Tags: machine-learning deep-learning high-performance-computing
Tools for calling Python scripts for Fortran/C models using the OASIS3-MCT coupler.
A Fortran library for the integration of ordinary differential equations with direct and adjoint sensitivity analysis capabilities
A deep learning library for use in high-performance computing applications in modern Fortran
Tags: machine-learning deep-learning high-performance-computing
A Modern Fortran translation of the FITPACK package for curve and surface fitting
Fortran Keras Bridge - A two-way deep learning bridge between Keras and Fortran
Tags: deep-learning data-science machine-learning neural-networks
Fortran Library for numerical INTegration of differential equations
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
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
Fortran Object-Oriented Differential-equations Integration Environment
Tags: ordinary-differential-equation partial-differential-equation euler runge-kutta
Formulaic mimetic abstraction language
Tags: partial-differential-equation domain-specific-language mimetic-discretizations
A Modern Fortran port of the Bessels.jl library for fast and accurate Bessel function evaluation
Tags: special-functions elemental math
Precision-agnostic, high-level linear algebra APIs backed by a Modern Fortran implementation of Reference-LAPACK
Tags: lapack blas eigenvalue singular-value-decomposition linear-algebra least-squares
Collection of personal scientific routines in Fortran
Tags: solver integration interpolation histogram constants hdf5 error-handling random posix angles probability stokes-vectors
Allows users to interface into the PyTorch machine learning library
Tags: machine-learning deep-learning high-performance-computing
Fortran utilities including unit test harness, arbitrary length strings, parameter list objects, timers, geometry definitions, file wrappers, linear algebra tools, and parallel computing support
Modules for nonlinear optimization
Tags: least-squares active-set quadratic-programming interior-point convex-programming linear-programming
A general library for Non Equilibrium Green’s Functions
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)
a library of user callable tools that provide mesh generation, mesh optimization and dynamic mesh maintenance
a modern Fortran interface for computing the Jacobian (derivative) matrix of m nonlinear functions which depend on n variables
Tags: finite-difference
Solving linear, nonlinear equations, ordinary differential equations
Tags: ordinary-differential-equation partial-differential-equation integration stochastic quadrature plot
A Systematized Collection of ODE Solvers (FORTRAN 77)
Tags: ordinary-differential-equation runge-kutta adams-bashforth
Open source parallel package for computing multi-dimensional Fast Fourier Transforms (3-D and 4-D FFTs)
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 markov-chain-monte-carlo c cpp matlab python statistics bayesian stochastic optimization sampling integration machine-learning
Provides portable kind-parameters and many useful procedures to deal with them
Library to solve Poisson equation on a uniform Cartesian grid using the Fast Fourier Transform
Software package for computing the singular value decomposition of large and sparse or structured matrices
Tags: linear-algebra singular-value-decomposition lanczos-bidiagonalization openmp
Quasi-Newton Algorithm for Stochastic Optimization.
Tags: quasi-newton-optimization stochastic-optimization acm-toms
A parallel multifrontal solver for sparse linear systems based on QR and Cholesky decomposition
Tags: qr-decomposition cholesky-decomposition sparse multifrontal least-squares
Fortran library for the numerical computation of definite one-dimensional integrals
Tags: quadpack integration
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
Pseudo random number generator in Fortran, internally using xoroshiro128+
Tags: uniform normal poisson distributed
A Fortran-95/Python library that can be used to perform spherical harmonic transforms
Tags: spectral-analysis slepian-functions gravitational magnetic-field openmp
SLSQP nonlinear constrained optimizer
A workflow library that makes it easier to use common ML libraries in HPC simulations and applications.
Tags: machine-learning deep-learning high-performance-computing
A tool for automatic differentiation (forward/reverse) of Fortran and C programs
An Online Deep Learning Interface for HPC programs on NVIDIA GPUs
Tags: machine-learning deep-learning high-performance-computing
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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