Balík: abinit (9.2.2-1)
Odkazy pre abinit
Zdroje Debian:
Stiahnuť zdrojový balík abinit:
Správcovia:
Externé zdroje:
- Domovská stránka [www.abinit.org]
Podobné balíky:
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.
Ostatné balíky súvisiace s balíkom abinit
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- dep: libblas3
- referenčné implementácie základnej lineárnej algebry - zdieľaná knižnica
- alebo libblas.so.3
- virtuálny balík poskytovaný balíkom libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.29)
- knižnica GNU C - zdieľané knižnice
tiež virtuálny balík poskytovaný balíkom libc6-udeb
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- dep: libgcc-s1 (>= 4.0)
- podporná knižnica GCC
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- dep: libgfortran5 (>= 10)
- zdieľaná knižnica pre aplikácie GNU Fortran
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- dep: liblapack3
- knižnica rutín lineárnej algebry, verzia 3 - zdieľaná knižnica
- alebo liblapack.so.3
- virtuálny balík poskytovaný balíkom 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 (>= 4.1.0)
- knižnica na vyskokovýkonné odovzdávanie správ - zdieľaná knižnica
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- dep: libxc5 (>= 4.2.1)
- Library of Exchange-Correlation Functionals
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- dep: mpi-default-bin
- štandardné dynamické programy MPI - metabalík
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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)
Stiahnuť abinit
| Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
|---|---|---|---|
| armhf | 22,302.8 kB | 122,842.0 kB | [zoznam súborov] |