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abinit package

abinit 9.10.4-2ubuntu1 source package in Ubuntu

Changelog

abinit (9.10.4-2ubuntu1) noble; urgency=medium

  * debian/patches/python3.12.patch: Compatibility with python 3.12.

 -- Steve Langasek <email address hidden>  Sun, 21 Jan 2024 22:12:54 +0000

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Uploaded by:
Steve Langasek
Uploaded to:
Noble
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

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File Size SHA-256 Checksum
abinit_9.10.4.orig.tar.gz 124.7 MiB 6bf3c276c333956f722761f189f2b4324e150c8a50470ecb72ee07cc1c457d48
abinit_9.10.4-2ubuntu1.debian.tar.xz 14.7 KiB d386b7f2d5b5c26e3f9b44acd6bb2f0a1f609eb80050071807429b4e0bf336fc
abinit_9.10.4-2ubuntu1.dsc 2.5 KiB fcf9a8f21a68ded75aa3bf29ded5893e306b52e36d25cb7bf4d9c43ac62bb365

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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.