Paket: openmx (3.8.5+dfsg1-1build1)

Links für openmx

Trisquel-Ressourcen:

Quellcode-Paket openmx herunterladen:

Betreuer:

Debian Science Team (E-Mail-Archiv)

Original Maintainers:

Debian Science Team (E-Mail-Archiv)
Innocent De Marchi

Externe Ressourcen:

Homepage [www.openmx-square.org]

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.

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hängt ab von

empfiehlt

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dep: libblas3

Basic Linear Algebra Reference implementations, shared library

oder libblas.so.3

virtuelles Paket, bereitgestellt durch libatlas3-base, libblas3, libblis3-openmp, libblis3-pthread, libblis3-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.29)

GNU C Library: Shared libraries
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
dep: libfftw3-double3 (>= 3.3.5)

Library for computing Fast Fourier Transforms - Double precision
dep: libgcc-s1 (>= 4.2)

GCC support library
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

oder liblapack.so.3

virtuelles Paket, bereitgestellt durch libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libopenmpi3 (>= 4.0.3~rc4)

high performance message passing library -- shared library

rec: openmx-data

package for nano-scale material simulations (data)

openmx herunterladen

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Architektur	Paketgröße	Größe (installiert)	Dateien
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