[ 源代码: gpaw ]
软件包: gpaw (22.1.0-1build1)
gpaw 的相关链接
Trisquel 的资源:
下载源码包 gpaw:
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Marcin Dulak
- Graham Inggs
外部的资源:
- 主页 [wiki.fysik.dtu.dk]
相似软件包:
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: libc6 (>= 2.4)
- GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: libc6-udeb
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- dep: libelpa17 (>= 2021.11.001)
- Eigenvalue SoLvers for Petaflop-Applications
-
- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
-
- dep: libopenmpi3 (>= 4.1.2)
- high performance message passing library -- shared library
-
- dep: libscalapack-openmpi2.1 (>= 2.1.0)
- Scalable Linear Algebra Package - Shared libs for OpenMPI
-
- dep: libxc9 (>= 5.0.0)
- Library of Exchange-Correlation Functionals
-
- dep: openmpi-bin
- high performance message passing library -- binaries
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.11)
- dep: python3 (>= 3.10~)
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- dep: python3-ase (>= 3.22.1)
- Atomic Simulation Environment (Python 3)
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- dep: python3-numpy (>= 1:1.20.0)
- Fast array facility to the Python 3 language
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- dep: python3-numpy-abi9
- 本虚包由这些包填实: python3-numpy
-
- dep: python3-scipy
- scientific tools for Python 3