Пакет: abinit (8.0.8-4)
Връзки за abinit
Ресурси за Trisquel:
Изтегляне на пакет-източник abinit.
Отговорник:
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
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- или libblas.so.3
- виртуален пакет, предлаган от libatlas3-base, libblas3, libopenblas-base
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от 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
-
- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- или liblapack.so.3
- виртуален пакет, предлаган от libatlas3-base, liblapack3, libopenblas-base
-
- rec: abinit-data
- package for electronic structure calculations (Data files)
-
- sug: abinit-doc
- package for electronic structure calculations (Documentation)
Изтегляне на abinit
| Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
|---|---|---|---|
| amd64 | 8 031,8 кБ | 34670 кБ | [списък на файловете] |
| i386 | 7 912,7 кБ | 37223 кБ | [списък на файловете] |