[ 源代码: gpaw ]
软件包:gpaw(24.1.0-1 以及其他的)
DFT and beyond within the projector-augmented wave method
A density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves.
其他与 gpaw 有关的软件包
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- dep: gpaw-data
- gpaw datasets/setups
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- dep: libblas3 [x32]
- Basic Linear Algebra Reference implementations, shared library
- 或者 libblas.so.3
- 本虚包由这些包填实: libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.14) [amd64]
- 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
- dep: libc6 (>= 2.16) [x32]
- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.27) [riscv64]
- dep: libc6 (>= 2.3.4) [hppa]
- dep: libc6 (>= 2.37) [sh4]
- dep: libc6 (>= 2.4) [armel, armhf, i386, m68k, mips64el, ppc64, s390x, sparc64]
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- dep: libc6.1 (>= 2.4) [alpha]
- GNU C 语言运行库:共享库
同时作为一个虚包由这些包填实: libc6.1-udeb
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- dep: libelpa19 (>= 2022.11.001) [除 x32]
- Eigenvalue SoLvers for Petaflop-Applications
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- dep: libfftw3-dev [x32]
- Library for computing Fast Fourier Transforms - development
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- dep: libfftw3-double3 (>= 3.3.10) [除 x32]
- Library for computing Fast Fourier Transforms - Double precision
-
- dep: libopenmpi3 (>= 4.0.4) [x32]
- high performance message passing library -- shared library
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- dep: libopenmpi3t64 (>= 4.1.6) [除 x32]
- high performance message passing library -- shared library
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- dep: libscalapack-openmpi2.2 (>= 2.2.1) [除 x32]
- Scalable Linear Algebra Package - Shared libs for OpenMPI
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- dep: libxc5 (>= 4.2.1) [x32]
- 软件包暂时不可用
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- dep: libxc9 (>= 5.0.0) [除 x32]
- Library of Exchange-Correlation Functionals
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- dep: openmpi-bin
- high performance message passing library -- binaries
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- dep: python3
- 交互式高级面向对象语言(默认 python3 版本)
- dep: python3 (<< 3.13) [除 x32]
- dep: python3 (<< 3.9) [x32]
- dep: python3 (>= 3.11~) [除 x32]
- dep: python3 (>= 3.8~) [x32]
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- dep: python3-ase (>= 3.18.0) [x32]
- Atomic Simulation Environment (Python 3)
- dep: python3-ase (>= 3.22.1) [除 x32]
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- dep: python3-numpy (>= 1:1.16.0~rc1) [x32]
- Fast array facility to the Python language (Python 3)
- dep: python3-numpy (>= 1:1.22.0) [除 armel, armhf, hppa, m68k, sh4, x32]
- dep: python3-numpy (>= 1:1.25.0) [armel, armhf, hppa, m68k, sh4]
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- dep: python3-numpy-abi9
- 本虚包由这些包填实: python3-numpy
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- dep: python3-scipy [除 x32]
- scientific tools for Python 3
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- dep: python3-yaml [除 x32]
- YAML parser and emitter for Python3
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- rec: python3-scipy
- scientific tools for Python 3
下载 gpaw
硬件架构 | 版本 | 软件包大小 | 安装后大小 | 文件 |
---|---|---|---|---|
alpha (非官方移植版) | 24.1.0-1 | 1,430.3 kB | 8,272.0 kB | [文件列表] |
amd64 | 24.1.0-1 | 1,435.5 kB | 8,172.0 kB | [文件列表] |
arm64 | 24.1.0-1 | 1,418.2 kB | 8,140.0 kB | [文件列表] |
armel | 24.1.0-1 | 1,453.6 kB | 8,288.0 kB | [文件列表] |
armhf | 24.1.0-1 | 1,404.1 kB | 7,904.0 kB | [文件列表] |
hppa (非官方移植版) | 24.1.0-1 | 1,433.8 kB | 8,186.0 kB | [文件列表] |
i386 | 24.1.0-1 | 1,423.9 kB | 8,146.0 kB | [文件列表] |
m68k (非官方移植版) | 24.1.0-1 | 1,416.2 kB | 8,192.0 kB | [文件列表] |
mips64el | 24.1.0-1 | 1,418.6 kB | 8,162.0 kB | [文件列表] |
ppc64 (非官方移植版) | 24.1.0-1 | 1,439.4 kB | 8,268.0 kB | [文件列表] |
ppc64el | 24.1.0-1 | 1,441.5 kB | 8,268.0 kB | [文件列表] |
riscv64 | 24.1.0-1 | 1,438.0 kB | 8,003.0 kB | [文件列表] |
s390x | 24.1.0-1 | 1,438.5 kB | 8,187.0 kB | [文件列表] |
sh4 (非官方移植版) | 24.1.0-1 | 1,462.3 kB | 8,130.0 kB | [文件列表] |
sparc64 (非官方移植版) | 24.1.0-1 | 1,411.1 kB | 9,558.0 kB | [文件列表] |
x32 (非官方移植版) | 20.1.0-2 | 1,126.8 kB | 6,028.0 kB | [文件列表] |