abinit 9.6.1-1 source package in Ubuntu
Changelog
abinit (9.6.1-1) unstable; urgency=medium * New upstream release. * debian/patches/build-system-python3.patch: Refreshed. * debian/patches/testsuite_autopkgtest.patch: Likewise. -- Michael Banck <email address hidden> Sun, 10 Oct 2021 12:56:38 +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 | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| abinit_9.6.1-1.dsc | 2.4 KiB | eb3e49e5d123a93833055ca5e69068455d557b756696821e3d952d7fc43fbdbe |
| abinit_9.6.1.orig.tar.gz | 104.1 MiB | 777cad7b845daed5feb64c5bf33cea8cbec6d0e2d9b452f48f2b29c2e547f011 |
| abinit_9.6.1-1.debian.tar.xz | 13.7 KiB | d05f400b75b56cb78843bc5b67391cefea89d977d16ff503eccc31096d538dba |
Available diffs
- diff from 9.2.2-1 to 9.6.1-1 (86.7 MiB)
No changes file available.
Binary packages built by this source
- abinit: package for electronic structure calculations
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
.
This package contains the executables needed to perform calculations (however,
pseudopotentials are not supplied). For a set of pseudopotentials, install
the abinit-data package.
- abinit-data: package for electronic structure calculations (Data files)
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
.
This package contains a set of pseudopotentials and example inputs.
- abinit-dbgsym: debug symbols for abinit
- abinit-doc: package for electronic structure calculations (Documentation)
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
.
This package contains the documentation and tutorials.
