[ buster ]
[ sid ]
[ 源代码： openmx ]
软件包：openmx（3.8.5+dfsg1-1）
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.
其他与 openmx 有关的软件包
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- 或者 libblas.so.3
- 本虚包由这些包填实： libatlas3-base, libblas3, libblis2-openmp, libblis2-pthread, libblis2-serial, libopenblas-base
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- dep: libc6 (>= 2.7)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb
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- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
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- dep: libgcc1 (>= 1:4.0)
- GCC 支持库
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- dep: libgfortran5 (>= 8)
- Runtime library for GNU Fortran applications
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP（GOMP）支持库
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- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- 或者 liblapack.so.3
- 本虚包由这些包填实： libatlas3-base, liblapack3, libopenblas-base
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- dep: libopenmpi3
- high performance message passing library -- shared library
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- rec: openmx-data
- package for nano-scale material simulations (data)