[ Bron: openmx ]
Pakket: openmx (3.7.6-2)
Verwijzigingen voor openmx
Trisquel bronnen:
Het bronpakket openmx downloaden:
Beheerder:
Original Maintainers:
- Debian Science Team (Mailarchief)
- Christophe Prud'homme
Externe bronnen:
- Homepage [www.openmx-square.org]
Vergelijkbare pakketten:
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.
Andere aan openmx gerelateerde pakketten
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- of libblas.so.3
- virtueel pakket geboden door libatlas3-base, libblas3, libopenblas-base
-
- dep: libc6 (>= 2.7)
- GNU C Library: Shared libraries
Ook een virtueel pakket geboden door: libc6-udeb
-
- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
-
- dep: libgcc1 (>= 1:4.0) [amd64]
- GCC support library
- dep: libgcc1 (>= 1:4.2) [i386]
-
- dep: libgfortran4 (>= 7)
- 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
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- dep: libopenmpi2
- high performance message passing library -- shared library
-
- rec: openmx-data
- package for nano-scale material simulations (data)