Packages / Numerical projects
Fortran libraries for linear algebra, optimization, root-finding etc.
ARPACK |
|
 |
 |
 |
 |
|
| Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. | ||||||
| Tags: eigenvalue eigenvector singular value decomposition svd | ||||||
bspline-fortran |
|
|
 |
 |
 |
 |
| Multidimensional B-Spline interpolation of data on a regular grid | ||||||
| Tags: spline interpolation extrapolation integration integral | ||||||
DBCSR |
|
|
 |
 |
 |
 |
| Distributed block compresseed sparse row matrix library | ||||||
| Tags: linear-algebra parallel mpi openmp cuda hip | ||||||
ddPCM |
|
|
 |
 |
 |
 |
| A fast domain decomposition based implementation of the COSMO solvation model | ||||||
| Tags: continuum-solvation cosmo pcm cpcm | ||||||
DelaunaySparse |
|
 |
 |
 |
 |
|
| Multivariate Interpolation via a Sparse Subset of the Delaunay Triangulation in Medium to High Dimensions. | ||||||
| Tags: interpolation openmp acm-toms | ||||||
ElmerFEM |
|
 |
 |
 |
 |
|
| Finite element software for numerical solution of partial differential equations | ||||||
| Tags: pde fe | ||||||
ELPA |
|
|
||||
| Eigenvalue Solvers for Petaflop Applications | ||||||
| Tags: mpi gpu | ||||||
fgsl |
|
|
 |
 |
 |
 |
| Fortran interface to the GNU Scientific Library | ||||||
| Tags: | ||||||
FOODIE |
|
|
 |
 |
 |
 |
| Fortran Object-Oriented Differential-equations Integration Environment | ||||||
| Tags: ode pde euler runge kutta | ||||||
fortranlib |
|
 |
 |
 |
 |
|
| Collection of personal scientific routines in Fortran | ||||||
| Tags: solver integral integrate interpolation histogram constants hdf5 error random posix angles probability stokes vectors | ||||||
Futility |
|
 |
 |
 |
 |
|
| Fortran utilities including unit test harness, arbitrary length strings, parameter list objects, timers, geometry definitions, file wrappers, linear algebra tools, and parallel computing support | ||||||
| Tags: | ||||||
GALAHAD |
|
|
 |
 |
 |
 |
| Modules for nonlinear optimization | ||||||
| Tags: least squares active set quadratic-programming interior point convex-programming linear-programming | ||||||
HANDE |
|
 |
 |
 |
 |
|
| Open source stochastic quantum chemistry | ||||||
| Tags: qmc electronic-structure | ||||||
LAPACK |
|
|
 |
 |
 |
 |
| Routines for numerical linear algebra | ||||||
| Tags: blas linear-algebra | ||||||
libnegf |
|
|
 |
 |
 |
 |
| A general library for Non Equilibrium Green's Functions | ||||||
| Tags: transport electronic-structure | ||||||
Los Alamos Grid Toolbox (LaGriT) |
|
|
 |
 |
 |
 |
| a library of user callable tools that provide mesh generation, mesh optimization and dynamic mesh maintenance | ||||||
| Tags: | ||||||
MapTran3D |
|
|
 |
 |
 |
 |
| Geodesy, 3D coordinate conversions for ECEF, ENU, ECI, ... | ||||||
| Tags: | ||||||
neural-fortran |
|
 |
 |
 |
 |
|
| A parallel neural net microframework. | ||||||
| Tags: back propagation coarray | ||||||
NTPoly |
|
|
 |
 |
 |
 |
| A massively parallel library for computing the functions of sparse matrices. | ||||||
| Tags: mpi | ||||||
NumDiff |
|
|
 |
 |
 |
 |
| 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 |
|
 |
 |
 |
 |
|
| Solving linear, nonlinear equations, ordinary differential equations | ||||||
| Tags: ode pde integral stochastic quadrature plotting | ||||||
OpenBLAS |
|
|
 |
 |
 |
 |
| Optimized BLAS library based on GotoBLAS2 | ||||||
| Tags: blas linear-algebra | ||||||
ParaMonte |
|
|
 |
 |
 |
 |
| 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 | ||||||
PENF |
|
|
 |
 |
 |
 |
| Provides portable kind-parameters and many useful procedures to deal with them | ||||||
| Tags: kinds integer real ieee floating point floats precision | ||||||
PoisFFT |
|
 |
 |
 |
 |
|
| Library to solve Poisson equation on a uniform Cartesian grid using the Fast Fourier Transform | ||||||
| Tags: fft poisson | ||||||
PSBLAS |
|
|
 |
 |
 |
 |
| Parallel Sparse BLAS | ||||||
| Tags: linear-algebra mpi | ||||||
QMD-PROGRESS |
|
|
 |
 |
 |
 |
| Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver. | ||||||
| Tags: mpi | ||||||
quaff |
|
|
|
|
|
|
| Quantities for Fortran. Make math with units more convenient | ||||||
| Tags: | ||||||
rng_fortran |
|
 |
 |
 |
 |
|
| Pseudo random number generator in Fortran, internally using xoroshiro128+ | ||||||
| Tags: uniform normal poisson distributed | ||||||
RPNcalc |
|
|
 |
 |
 |
 |
| Reverse Polish Notation calculator for interactive console use | ||||||
| Tags: | ||||||
SciFortran |
|
 |
 |
 |
 |
|
| collection of fortran modules and procedures for scientific calculations. | ||||||
| Tags: | ||||||
SHTOOLS |
|
|
 |
 |
 |
 |
| A Fortran-95/Python library that can be used to perform spherical harmonic transforms | ||||||
| Tags: spectral analysis Slepian bases gravitational magnetic field openmp | ||||||
slsqp |
|
|
 |
 |
 |
 |
| 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 | ||||||