abinit 8.0.8-4 source package in Ubuntu

Changelog

abinit (8.0.8-4) unstable; urgency=medium

  * debian/patches/gcc7_random_seek.patch: Fix typo.

 -- Michael Banck <email address hidden>  Sat, 05 Aug 2017 15:25:48 -0400

Upload details

Uploaded by:
Debichem Team on 2017-08-06
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
Bionic release on 2017-10-24 universe science
Artful release on 2017-08-06 universe science

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File Size SHA-256 Checksum
abinit_8.0.8-4.dsc 2.2 KiB 6c58c0c26c1d48e9ad4476a89780fff3c903ba34325fd7525f6bd8935e047dde
abinit_8.0.8.orig.tar.gz 67.9 MiB cd09013f292f68fca6b80fe4e857d76854a3408c02c15c84c2030c2b1f6d2f26
abinit_8.0.8-4.debian.tar.xz 12.8 KiB 87e4c88162388f9e2b3240c64376642743f3579db54593707e2f5dfb01de2723

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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.