espresso 6.3-3 source package in Ubuntu

Changelog

espresso (6.3-3) unstable; urgency=medium

  [ Andrius Merkys ]
  * debian/control: declaring Breaks+Replaces relation due to a moved file
    (Closes: #907881)

 -- Michael Banck <email address hidden>  Tue, 04 Sep 2018 13:48:53 +0200

Upload details

Uploaded by:
Debichem Team on 2018-09-04
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Disco proposed on 2018-11-09 universe science

Downloads

File Size SHA-256 Checksum
espresso_6.3-3.dsc 2.1 KiB 87fc2d786cf951ff9bc1f01fc24ae208c82a1ffd32fb52d3bb49ec5230b51a13
espresso_6.3.orig.tar.gz 82.8 MiB 5d15f7cbb30ccb2e2e6722bc1cdf10a3aae909ae786654b0990068ed1846ad65
espresso_6.3-3.debian.tar.xz 4.8 MiB 2845b8046eb89d3d72e8403029484bb704174970f3369c34f98923126741b3a9

No changes file available.

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: debug symbols for quantum-espresso