套件： abinit (9.6.2-1build1)
abinit 的相關超連結
Trisquel 的資源：
下載原始碼套件 abinit：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Andreas Tille
- Michael Banck
外部的資源：
- 主頁 [www.abinit.org]
相似套件：
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.
其他與 abinit 有關的套件
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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提供： libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
同時作為一個虛擬套件由這些套件提供： libc6-udeb
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- dep: libgcc-s1 (>= 4.0)
- GCC support library
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- dep: libgfortran5 (>= 10)
- 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
- 本虛擬套件由這些套件提供： libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libnetcdff7 (>= 4.1.1)
- Fortran interface for scientific data access to large binary data
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- dep: libopenmpi3 (>= 4.1.2)
- high performance message passing library -- shared library
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- dep: libxc9 (>= 5.0.0)
- Library of Exchange-Correlation Functionals
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- dep: mpi-default-bin
- Standard MPI runtime programs (metapackage)
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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)