• COKOSNUT

  • Referenced in 3 articles [sw22274]
  • control of the time-dependent Kohn-Sham model. Optimal control of multi-electron systems ... quantum control problems governed by the Kohn-Sham equation. This package includes a robust globalized...
  • VASP

  • Referenced in 16 articles [sw19550]
  • computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular ... density functional theory (DFT), solving the Kohn-Sham equations, or within the Hartree-Fock...
  • PROFESS

  • Referenced in 6 articles [sw04202]
  • evaluation of the kinetic energy (unlike Kohn-Sham DFT), and the method scales nearly linearly ... Electronic Structure Software (PROFESS) uses OFDFT to model materials from the atomic scale...
  • Gmsh

  • Referenced in 783 articles [sw00366]
  • Gmsh is a 3D finite element grid generator...
  • hypre

  • Referenced in 334 articles [sw00426]
  • hypre is a software library for the solution...
  • ISOGAT

  • Referenced in 318 articles [sw00457]
  • A tutorial 2D MATLAB code for solving elliptic...
  • LAPACK

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

  • Referenced in 5403 articles [sw00545]
  • The result of over 30 years of cutting...
  • Matlab

  • Referenced in 13702 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • rbMIT

  • Referenced in 146 articles [sw00784]
  • The rbMIT © MIT Software package implements in Matlab...
  • ScaLAPACK

  • Referenced in 421 articles [sw00830]
  • ScaLAPACK is an acronym for scalable linear algebra...
  • SLEPc

  • Referenced in 200 articles [sw00875]
  • SLEPc the Scalable Library for Eigenvalue Problem Computations...
  • TNPACK

  • Referenced in 42 articles [sw00970]
  • We present a FORTRAN package of subprograms for...
  • Wannier90

  • Referenced in 13 articles [sw01010]
  • wannier90: A Tool for Obtaining Maximally-Localised Wannier...
  • AMBER

  • Referenced in 57 articles [sw01333]
  • AmberTools is a set of programs for biomolecular...
  • L-BFGS

  • Referenced in 852 articles [sw03229]
  • Algorithm 778: L-BFGS-B Fortran subroutines for...
  • deal.ii

  • Referenced in 650 articles [sw03516]
  • deal.II is a C++ program library targeted at...
  • 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...
  • PROPACK

  • Referenced in 113 articles [sw04019]
  • The software package PROPACK contains a set of...