espresso 5.1+dfsg-3 source package in Ubuntu

Changelog

espresso (5.1+dfsg-3) unstable; urgency=medium


  * debian/control (Build-Depends): Added libelpa-dev.
  * debian/rules (override_dh_auto_configure) New targets, enables ELPA
    configure flag.
  * debian/upstream: Moved to debian/upstream/metadata.

 -- Michael Banck <email address hidden>  Sat, 11 Oct 2014 17:42:34 +0200

Upload details

Uploaded by:
Debichem Team
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

Downloads

File Size SHA-256 Checksum
espresso_5.1+dfsg-3.dsc 4.8 KiB 6b6ce58545aa1e8c866d8cd83f1f7f5ebc599416a361da728232b26eb1d59c57
espresso_5.1+dfsg.orig-GWW.tar.gz 436.0 KiB 459fa20ee61e539a23cf93d19020e362ba17740052b6aa3c17c0e90966c60047
espresso_5.1+dfsg.orig-NEB.tar.gz 328.7 KiB 1629446a78eb1898555a7212b5e2af19e287358a29715b2cdfc922110715a9f6
espresso_5.1+dfsg.orig-PHonon.tar.gz 2.0 MiB ccf5b8db2943b62ef7f1017f32b0b6e11264b5f19c6ed111a1ab4c4e26274502
espresso_5.1+dfsg.orig-PWCOND.tar.gz 199.9 KiB 45a020a8cfa32818331dc6f1f73f39e91c15c5b17ce201296c01f2ee5346c08c
espresso_5.1+dfsg.orig-PWgui.tar.gz 1.2 MiB ddfe5231cd22ac76bd7175523d6858026f6c229e0ef754e539545b51f1b4ec1d
espresso_5.1+dfsg.orig-PlotPhon.tar.gz 45.5 KiB cbdcf0f3e7eec33308990f1cb4a454c4d17eac668402e1f6a25f1383d9c1e123
espresso_5.1+dfsg.orig-QHA.tar.gz 78.4 KiB 257a5ddae60d3d569e7e55fd9d0c370d036e2fd95944aaf08560c53e9d583f3c
espresso_5.1+dfsg.orig-TDDFPT.tar.gz 3.4 MiB 140d17e21362589064c57921fec621a8bf1a9386d1a503db9debef9da271f3c1
espresso_5.1+dfsg.orig-XSpectra.tar.gz 2.1 MiB c5192051d4718824698e0743ea0ae97178fd2e8cf2d6abd45fe3a9eb42f72e5c
espresso_5.1+dfsg.orig-atomic.tar.gz 2.3 MiB 25e10c2ee4e2c811d8b8fa6462120cead99250d287b3f16da080abf3e2920786
espresso_5.1+dfsg.orig.tar.gz 12.5 MiB 7ed339894d08d2fb05bd7434227f90cdb6f4dd7f2fe4e10a2d7f84abfc0d5c6f
espresso_5.1+dfsg-3.debian.tar.xz 5.5 MiB 1c37561d85da1c75064cce493dbf82afde55dded27a5bb8b5f378b643924ed5c

No changes file available.

Binary packages built by this source

quantum-espresso: No summary available for quantum-espresso in ubuntu wily.

No description available for quantum-espresso in ubuntu wily.

quantum-espresso-data: No summary available for quantum-espresso-data in ubuntu vivid.

No description available for quantum-espresso-data in ubuntu vivid.

quantum-espresso-dbgsym: debug symbols for package quantum-espresso

 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