abinit 9.6.2-1build1 source package in Ubuntu

Changelog

abinit (9.6.2-1build1) jammy; urgency=medium

  * No-change rebuild against libxc9 on riscv64

 -- Graham Inggs <email address hidden>  Thu, 06 Jan 2022 07:14:05 +0000

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Uploaded by:
Graham Inggs
Uploaded to:
Jammy
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Jammy release universe science

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File Size SHA-256 Checksum
abinit_9.6.2.orig.tar.gz 104.1 MiB 5fba537bac99f53ae02781f1f374247503241b80ce329dc51fe2e986b13198f0
abinit_9.6.2-1build1.debian.tar.xz 13.8 KiB 1e46ab47b89d80693a222a9f891307bf1ee8623d07a9c24b99b2b66df47c55d8
abinit_9.6.2-1build1.dsc 2.4 KiB b98536ea69f90c1658ef3c24435c5076775a0efef0fdc4dc449a5c1c71ad0d95

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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.