• nMoldyn

  • Referenced in 2 articles [sw07359]
  • well as its Fourier transform (the density of states) and its memory function, the angular...
  • QuEST

  • Referenced in 3 articles [sw27765]
  • simulator of universal quantum circuits, state vectors and density matrices. QuEST can be used...
  • PROFESS

  • Referenced in 6 articles [sw04202]
  • free density functional theory calculations Orbital-free density functional theory (OFDFT) is a first principles ... state energy of a system by variationally minimizing with respect to the electron density...
  • AbYSS

  • Referenced in 20 articles [sw09881]
  • multiobjective field, such as Pareto dominance, density estimation, and an external archive to store ... problems, and it is compared with two state-of-the-art multiobjective optimizers, NSGA...
  • Tinie

  • Referenced in 1 article [sw33751]
  • this paper we introduce tinie: a state-of-the-art quantum transport simulation framework, which ... enable the computation of the local density of states. The generality of tinie ranges from...
  • PyProcar

  • Referenced in 1 article [sw37661]
  • projection of the Kohn-Sham states over atomic orbitals. That projection is performed to every ... from multiple DFT calculations, plotting partial density of states and generating a k-path...
  • FHI-gap

  • Referenced in 1 article [sw10804]
  • electrons, even for ground-state density-functional theory (DFT) calculations. The situation can become more ... code can handle core, semicore, and valence states on the same footing, which allows...
  • phono3py

  • Referenced in 1 article [sw27881]
  • Imaginary part of self energy; Joint density of states (JDOS) and weighted-JDOS...
  • PHONON

  • Referenced in 1 article [sw31965]
  • calculates the total and partial phonon density of states. It plots the internal energy, free...
  • ppp_bulk.x

  • Referenced in 1 article [sw10440]
  • variety of calculations such as the density of states, linear optical absorption spectrum, electro-absorption...
  • FEOS

  • Referenced in 1 article [sw35426]
  • FEOS for high energy density matter. Adequate equation of state (EOS) data is of high ... growing field of high energy density physics and especially essential for hydrodynamic simulation codes ... newly developed Frankfurt equation of state (FEOS) package provides an easy and fast access...
  • DEFROST

  • Referenced in 5 articles [sw16364]
  • quite inhomogeneous state. In particular, one-point distribution function of total energy density appears ... distribution. It is tempting to attribute this state to scalar field turbulence...
  • sns

  • Referenced in 3 articles [sw17406]
  • concavity). For high-dimensional densities, mixing can be improved via ’state space partitioning’ strategy ... applied to disjoint subsets of state space, wrapped in a Gibbs cycle. Numerical differentiation ... validation and numerical differentiation of log-density are provided...
  • QCMPI

  • Referenced in 9 articles [sw01149]
  • explained in detail. Procedures for distributing state vector amplitudes over processors and for solving concurrent ... multiverse) cases with noise effects are implemented. Density matrix and entropy evaluations are provided...
  • PyCDFT

  • Referenced in 1 article [sw33370]
  • Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides ... PyCDFT is designed to interface with existing density functional theory (DFT) codes to perform CDFT ... computing the electronic coupling between diabatic states for a set of organic molecules. We show...
  • YPHON

  • Referenced in 0 articles [sw19279]
  • phonon dispersions; (2) the phonon density of states; (3) the neutron scattering section weighted phonon ... density of state; (4) the phonons of the high symmetry structure using the force constants...
  • FFJORD

  • Referenced in 5 articles [sw34244]
  • high-dimensional density estimation, image generation, and variational inference, achieving the state...
  • HepMC

  • Referenced in 10 articles [sw18252]
  • number of entries is unlimited, spin density matrices can be stored with each vertex, flow ... stored and traced, random number generator states can be stored, and an arbitrary number...
  • ERKALE

  • Referenced in 1 article [sw26730]
  • properties, such as ground‐state electron momentum densities, Compton profiles, and core and valence electron...
  • QPACK

  • Referenced in 12 articles [sw07920]
  • software package finds numerically the steady-state probabilities and moments for the number ... moments for waiting times, and waiting time densities in some cases. The models presently available...