Paket: abinit (9.6.2-1)

abinit için bağlantılar

Debian Kaynakları:

abinit Kaynak Paketini İndir:

Geliştiriciler:

Debichem Team (QA Sayfası, Posta Arşivi)
Andreas Tille (QA Sayfası)
Michael Banck (QA Sayfası)

Dış Kaynaklar:

Ana Sayfa [www.abinit.org]

Benzer paketler:

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.

Etiketler: Alan: Kimya, Fizik, Rol: Program

abinit ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

ya da libblas.so.3

sanal paketi sağlayan libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.29)

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket 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

ya da liblapack.so.3

sanal paketi sağlayan 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)

abinit indir

Tüm mevcut mimariler için indir
Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
armhf	25.888,7 kB	129.425,0 kB	[dosya listesi]