Paketti: openmx (3.8.5+dfsg1-1)

[ Source: 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.

Tagit: Field: Chemistry, Physics

Muut pakettiin openmx liittyvät paketit

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  tai libblas.so.3

  näennäispaketti, jonka toteuttaa libatlas3-base, libblas3, libblis2-openmp, libblis2-pthread, libblis2-serial, libopenblas-base

• dep: libc6 (>= 2.7)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libfftw3-double3 (>= 3.3.5)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libgcc1 (>= 1:4.0)

  GCC:n apukirjasto

• 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

  tai liblapack.so.3

  näennäispaketti, jonka toteuttaa libatlas3-base, liblapack3, libopenblas-base

• dep: libopenmpi3

  high performance message passing library -- shared library

• rec: openmx-data

  package for nano-scale material simulations (data)

Imuroi openmx

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
armhf	1,234.3 kt	3,419.0 kt	[tiedostoluettelo]