Ubuntu
espresso package

espresso 6.4.1-1build2 source package in Ubuntu

Changelog

espresso (6.4.1-1build2) focal; urgency=medium

  * No-change rebuild for libgcc-s1 package name change.

 -- Matthias Klose <email address hidden>  Sun, 22 Mar 2020 16:39:39 +0100

Upload details

Uploaded by:
Matthias Klose
Uploaded to:
Focal
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Focal release universe science

Downloads

File Size SHA-256 Checksum
espresso_6.4.1.orig.tar.gz 79.3 MiB b0d7e9f617b848753ad923d8c6ca5490d5d82495f82b032b71a0ff2f2e9cfa08
espresso_6.4.1-1build2.debian.tar.xz 4.8 MiB da6297165510b2d33600b3dc85a5ea57bd5698aa83e5cc31bef5d346ec4c5060
espresso_6.4.1-1build2.dsc 2.2 KiB ff6fcba0a8c3c841cee7d01ba391923cc87678b64eb9a4c41ed4c5d4865a99f7

Available diffs

View changes file

Binary packages built by this source

quantum-espresso: Electronic-Structure and Ab-Initio Molecular Dynamics Suite

 Quantum ESPRESSO (formerly known as PWscf) is an integrated suite of computer
 codes for electronic-structure calculations and materials modeling at the
 nanoscale. It is based on density-functional theory, plane waves, and
 pseudopotentials (both norm-conserving, ultrasoft, and PAW).
 .
 Features include:
  * Ground-state single-point and band structure calculations using plane-wave
    self-consistent total energies, forces and stresses
  * Separable norm-conserving and ultrasoft (Vanderbilt) pseudo-potentials, PAW
    (Projector Augmented Waves)
  * Various exchange-correlation functionals, from LDA to generalized-gradient
    corrections (PW91, PBE, B88-P86, BLYP) to meta-GGA, exact exchange (HF) and
    hybrid functionals (PBE0, B3LYP, HSE)
  * Car-Parrinello and Born-Oppenheimer Molecular Dynamics
  * Structural Optimization including transition states and minimum energy
    paths
  * Spin-orbit coupling and noncollinear magnetism
  * Response properties including phonon frequencies and
    eigenvectors, effective charges and dielectric tensors, Infrared and
    Raman cross-sections, EPR and NMR chemical shifts
  * Spectroscopic properties like K- and L1-edge X-ray Absorption Spectra (XAS)
    and electronic excitations

quantum-espresso-data: Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

 Quantum ESPRESSO is an integrated suite of computer codes for
 electronic-structure calculations and materials modeling at the nanoscale. It
 is based on density-functional theory, plane waves, and pseudopotentials (both
 norm-conserving, ultrasoft, and PAW).
 .
 This package contains a limited set of pseudo-potentials and example files.

quantum-espresso-dbgsym: No summary available for quantum-espresso-dbgsym in ubuntu groovy.

No description available for quantum-espresso-dbgsym in ubuntu groovy.