Packages / Numerical projects
Fortran libraries for linear algebra, optimization, root-finding etc.
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 | ||||||
ddPCM |
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| A fast domain decomposition based implementation of the COSMO solvation model | ||||||
| Tags: continuum-solvation cosmo pcm cpcm | ||||||
ElmerFEM |
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| Finite element software for numerical solution of partial differential equations | ||||||
| Tags: pde fe | ||||||
ELPA |
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| Eigenvalue Solvers for Petaflop Applications | ||||||
| Tags: mpi gpu | ||||||
fgsl |
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| Fortran interface to the GNU Scientific Library | ||||||
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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 | ||||||
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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 | ||||||
LAPACK |
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| Routines for numerical linear algebra | ||||||
| Tags: blas linear algera | ||||||
libnegf |
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| A general library for Non Equilibrium Green's Functions | ||||||
| Tags: transport electronic-structure | ||||||
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 | ||||||
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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 | ||||||
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 | ||||||
OpenBLAS |
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| Optimized BLAS library based on GotoBLAS2 | ||||||
| Tags: blas linear algebra | ||||||
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 | ||||||
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 | ||||||
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 | ||||||
quaff |
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| Quantities for Fortran. Make math with units more convenient | ||||||
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rng_fortran |
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| Pseudo random number generator in Fortran, internally using xoroshiro128+ | ||||||
| Tags: uniform normal poisson distributed | ||||||
SciFortran |
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| collection of fortran modules and procedures for scientific calculations. | ||||||
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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 | ||||||
slsqp |
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| SLSQP nonlinear constrained optimizer | ||||||
| Tags: nonlinear programming equality inequality constraints | ||||||
Tapenade |
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| A tool for automatic differentiation (forward/reverse) of Fortran and c programs | ||||||
| Tags: algorithmic derivative ad | ||||||