Pakket: openmx (3.8.5+dfsg1-1)

[ Bron: openmx  ]

package for nano-scale material simulations

OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors.

Tags: Field: Chemistry, Physics

Andere aan openmx gerelateerde pakketten

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  of libblas.so.3

  virtueel pakket geboden door libatlas3-base, libblas3, libblis2-openmp, libblis2-pthread, libblis2-serial, libopenblas-base

• dep: libc6 (>= 2.14) [amd64]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

  dep: libc6 (>= 2.17) [arm64]

  dep: libc6 (>= 2.7) [armhf, i386]

• dep: libfftw3-double3 (>= 3.3.5)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libgcc1 (>= 1:4.0) [amd64, armhf]

  GCC support bibliotheek

  dep: libgcc1 (>= 1:4.2) [arm64, i386]

• dep: libgfortran5 (>= 8)

  Runtime library for GNU Fortran applications

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: liblapack3

  Library of linear algebra routines 3 - shared version

  of liblapack.so.3

  virtueel pakket geboden door libatlas3-base, liblapack3, libopenblas-base

• dep: libopenmpi3

  high performance message passing library -- shared library

• dep: libquadmath0 (>= 4.6) [amd64, i386]

  GCC Quad-Precision Math Library

• rec: openmx-data

  package for nano-scale material simulations (data)

openmx downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	1.339,6 kB	4.383,0 kB	[overzicht]
arm64	1.202,4 kB	3.991,0 kB	[overzicht]
armhf	1.234,3 kB	3.419,0 kB	[overzicht]
i386	1.329,1 kB	4.803,0 kB	[overzicht]