
ATLAS
 Referenced in 1 article
[sw18242]
 ATLAS: a realspace finitedifference implementation of orbitalfree density functional theory. Orbitalfree ... functional theory (OFDFT) is a promising method for largescale quantum mechanics simulation ... Here we develop a realspace finitedifference (FD) method for the numerical solution ... approach engages both the realspace finitedifference method and a direct energyminimization scheme...

GPAW
 Referenced in 1 article
[sw06805]
 environment (ASE). It uses realspace uniform grids and multigrid methods or atomcentered basis...

MIKA
 Referenced in 6 articles
[sw08891]
 general realspace multigridbased program package MIKA (Multigrid Instead of the KspAce ... described. The most important part of the method is the multigrid solver for the Schrödinger...

ShengBTE
 Referenced in 3 articles
[sw17641]
 processspecific broadening parameter, which renders the method fully parameter free. The code is free ... initio calculations, using a realspace finitedifference approach, is also publicly available for download...

ATLAS
 Referenced in 199 articles
[sw00056]
 This paper describes the Automatically Tuned Linear Algebra...

LAPACK
 Referenced in 1713 articles
[sw00503]
 LAPACK is written in Fortran 90 and provides...

Matlab
 Referenced in 13702 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

BLAS
 Referenced in 501 articles
[sw03216]
 Lowlevel utilities common to many mathematical software...

eigs
 Referenced in 325 articles
[sw03702]
 eigs: Largest eigenvalues and eigenvectors of matrix The...

PETSc
 Referenced in 1594 articles
[sw04012]
 The Portable, Extensible Toolkit for Scientiﬁc Computation (PETSc...

CUBIT
 Referenced in 80 articles
[sw04109]
 The CUBIT Geometry and Mesh Generation Toolkit: For...

ARPACK
 Referenced in 848 articles
[sw04218]
 ARPACK is a collection of Fortran77 subroutines designed...

ABINIT
 Referenced in 53 articles
[sw06111]
 ABINIT is a package whose main program allows...

GAUSSIAN
 Referenced in 202 articles
[sw06118]
 Gaussian is an electronic structure program, used by...

NWChem
 Referenced in 44 articles
[sw06127]
 NWChem computes the properties of molecular and periodic...

MPI
 Referenced in 522 articles
[sw06496]
 Automatic differentiation through the use of hyperdual...

KSSOLV
 Referenced in 35 articles
[sw06806]
 We describe the design and implementation of KSSOLV...

Libxc
 Referenced in 13 articles
[sw06863]
 Libxc is a library of exchangecorrelation functionals...

MKL
 Referenced in 148 articles
[sw06975]
 Intel® Math Kernel Library (Intel® MKL) 11.0 includes...