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 | 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
- diff from 6.4.1-1build1 to 6.4.1-1build2 (319 bytes)
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.