Пакет: abinit (9.6.2-1build1)

Връзки за abinit

Ресурси за Trisquel:

Изтегляне на пакет-източник abinit.

Отговорник:

Debichem Team (Пощенски архив)

Original Maintainers:

Debichem Team (Пощенски архив)
Andreas Tille
Michael Banck

Външни препратки:

Начална страница [www.abinit.org]

Подобни пакети:

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.

Други пакети, свързани с abinit

зависимости

препоръчани

предложени

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

или libblas.so.3

виртуален пакет, предлаган от libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
също и виртуален пакет, предлаган от 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

или liblapack.so.3

виртуален пакет, предлаган от 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)

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
amd64	29 480,8 кБ	170190 кБ	[списък на файловете]
arm64	27 594,5 кБ	146666 кБ	[списък на файловете]
armhf	26 817,6 кБ	129422 кБ	[списък на файловете]
ppc64el	39 165,6 кБ	180135 кБ	[списък на файловете]

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