• ABINIT

  • Referenced in 53 articles [sw06111]
  • allows one to find the total energy, charge density and electronic structure of systems made...
  • Libxc

  • Referenced in 13 articles [sw06863]
  • density and the kinetic energy density, for the GGA and mGGA cases, or the vorticity...
  • NDSPMHD

  • Referenced in 57 articles [sw10435]
  • motion and energy can be self-consistently derived from the density estimate. We then show...
  • DEFROST

  • Referenced in 9 articles [sw16364]
  • point distribution function of total energy density appears to be universal among various two-field...
  • KULL

  • Referenced in 8 articles [sw18307]
  • simulation code developed to model high energy density physics applications. Kull can be steered using...
  • NWChem

  • Referenced in 44 articles [sw06127]
  • wavefunction or density. NWChem also performs classical molecular dynamics and free energy simulations. These approaches...
  • DGDFT

  • Referenced in 7 articles [sw41922]
  • inversion (PEXSI) technique to compute electron density, energy and atomic forces, we can make...
  • GFiRe

  • Referenced in 5 articles [sw41989]
  • cases where the fields dominate the energy density of the universe, for example, during reheating ... self-consistently expanding universe, we find the energy conservation violation (<10−4) to be very...
  • VISRAD

  • Referenced in 2 articles [sw16957]
  • code and design tool for high-energy density physics experiments. The 3-D view factor ... used to both design high-energy density physics experiments, and to simulate the multi-dimensional ... used as input to radiation-hydrodynamics simulations. Energy source models include laser energy deposition—computed...
  • DynamicCasimirPackage

  • Referenced in 2 articles [sw18218]
  • algebra package for calculation of the energy density produced via the dynamical Casimir effect ... exact value of the energy density for a real massless scalar quantum field...
  • fhi98PP

  • Referenced in 11 articles [sw17871]
  • norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude ... free atom. Various parameterizations of the local-density approximation and the generalized gradient approximation...
  • PROFESS

  • Referenced in 6 articles [sw04202]
  • free density functional theory calculations Orbital-free density functional theory (OFDFT) is a first principles ... mechanics method to find the ground-state energy of a system by variationally minimizing with ... electron density. No orbitals are used in the evaluation of the kinetic energy (unlike Kohn ... appropriate optimizations. Energies, forces, stresses, material geometries, and electron density configurations are some...
  • ONETEP

  • Referenced in 16 articles [sw03256]
  • Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional...
  • Densityfold

  • Referenced in 1 article [sw12673]
  • secondary structure prediction via energy density minimization. There is a resurgence of interest ... secondary structure prediction are based on free energy minimization. Here the goal is to compute ... substructure by considering the energy density of the substructure can significantly improve on secondary structure ... sequence by minimizing the sum of energy densities of individual substructures. We show that when...
  • MIXKIP/RAPCAL

  • Referenced in 1 article [sw40496]
  • many fields of the high energy density physics, the radiation can significantly alter the material ... interest in the area of high energy density physics, new developments in this field ... radiation transfer coupled simulations for high energy density plasmas. This package includes different modules that...
  • FEOS

  • Referenced in 1 article [sw35426]
  • state package FEOS for high energy density matter. Adequate equation of state (EOS) data ... growing field of high energy density physics and especially essential for hydrodynamic simulation codes...
  • HOSPHE

  • Referenced in 1 article [sw12506]
  • nuclear energy density functional in spherical symmetry. The program HOSPHE (v1.02). We present a solution ... nuclear energy density functional. We derive general expressions for the mean fields expressed as differential...
  • kb

  • Referenced in 1 article [sw12464]
  • statistical (orbital occupation distributions) and dynamical (orbital energies and widths) information about the system away ... Transform. As summary output, the particle density, energy densities, and the quadrupole moment...
  • COOL

  • Referenced in 3 articles [sw06047]
  • trajectory, consequently properties such as spatial densities or energy distributions can be readily evaluated...
  • TARANG

  • Referenced in 4 articles [sw30724]
  • distributions of the spectral energy and helicity densities. In this approach we use the TARANG ... obtained. The spectral distributions and fluxes of energy and helicity have been computed for Reynolds...