Pakiet: abinit (9.6.2-1build1)

Odnośniki dla abinit

Zasoby systemu Trisquel:

Pobieranie pakietu źródłowego abinit:

Opiekun:

Debichem Team (Archiwum e-mail)

Original Maintainers:

Debichem Team (Archiwum e-mail)
Andreas Tille
Michael Banck

Zasoby zewnętrzne:

Strona internetowa [www.abinit.org]

Podobne pakiety:

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.

Inne pakiety związane z abinit

wymaga

poleca

sugeruje

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

lub libblas.so.3

pakiet wirtualny udostępniany przez libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
również pakiet wirtualny udostępniany przez libc6-udeb
dep: libgcc-s1 (>= 4.0)

GCC support library
dep: libgfortran5 (>= 10)

Runtime library for GNU Fortran applications
dep: liblapack3

Library of linear algebra routines 3 - shared version

lub liblapack.so.3

pakiet wirtualny udostępniany przez libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libnetcdff7 (>= 4.1.1)

Fortran interface for scientific data access to large binary data
dep: libopenmpi3 (>= 4.1.2)

high performance message passing library -- shared library
dep: libxc9 (>= 5.0.0)

Library of Exchange-Correlation Functionals
dep: mpi-default-bin

Standard MPI runtime programs (metapackage)

rec: abinit-data

package for electronic structure calculations (Data files)

sug: abinit-doc

package for electronic structure calculations (Documentation)

Pobieranie abinit

Pobierz dla wszystkich dostępnych architektur
Architektura	Rozmiar pakietu	Rozmiar po instalacji	Pliki
amd64	29 480,8 KiB	170190 KiB	[lista plików]

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