套件：abinit（9.2.2-1）

abinit 的相關連結

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下載原始碼套件 abinit：

維護小組：

外部的資源：

主頁 [www.abinit.org]

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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.

標籤: 領域: 化學, 物理學, 角色: 程式

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dep: libblas3

Basic Linear Algebra Reference implementations, shared library

或者 libblas.so.3

本虛擬套件由這些套件填實： libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.29)

GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
dep: libgcc-s1 (>= 4.0) [除 i386, mipsel]

GCC 支援函式庫

dep: libgcc-s1 (>= 4.2) [mipsel]

dep: libgcc-s1 (>= 7) [i386]
dep: libgfortran5 (>= 10)

Runtime library for GNU Fortran applications
dep: liblapack3

Library of linear algebra routines 3 - shared version

或者 liblapack.so.3

本虛擬套件由這些套件填實： 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 (>= 4.1.0)

high performance message passing library -- shared library
dep: libxc5 (>= 4.2.1)

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)

下載 abinit

下載可用於所有硬體架構的
硬體架構	套件大小	安裝後大小	檔案
amd64	26，126。9 kB	159，787。0 kB	[檔案列表]
arm64	22，826。6 kB	138，567。0 kB	[檔案列表]
armel	24，195。2 kB	154，585。0 kB	[檔案列表]
armhf	22，302。8 kB	122，842。0 kB	[檔案列表]
i386	25，430。7 kB	166，289。0 kB	[檔案列表]
mips64el	21，568。3 kB	153，632。0 kB	[檔案列表]
mipsel	22，607。2 kB	155，733。0 kB	[檔案列表]
ppc64el	26，050。0 kB	158，855。0 kB	[檔案列表]
s390x	22，206。2 kB	153，013。0 kB	[檔案列表]