软件包: abinit (8.0.8-4)
abinit 的相关链接
Trisquel 的资源:
下载源码包 abinit:
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Andreas Tille
- Michael Banck
外部的资源:
- 主页 [www.abinit.org]
相似软件包:
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.
其他与 abinit 有关的软件包
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- 或者 libblas.so.3
- 本虚包由这些包填实: libatlas3-base, libblas3, libopenblas-base
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- dep: libgcc1 (>= 1:4.0) [amd64]
- GCC support library
- dep: libgcc1 (>= 1:7) [i386]
-
- dep: libgfortran4 (>= 7)
- Runtime library for GNU Fortran applications
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- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- 或者 liblapack.so.3
- 本虚包由这些包填实: libatlas3-base, liblapack3, libopenblas-base
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- rec: abinit-data
- package for electronic structure calculations (Data files)
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- sug: abinit-doc
- package for electronic structure calculations (Documentation)