[ ソース: gpaw ]
パッケージ: gpaw (24.6.0-1)
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.
その他の gpaw 関連パッケージ
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- dep: gpaw-data
- gpaw datasets/setups
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- dep: libc6 (>= 2.38)
- GNU C ライブラリ: 共有ライブラリ
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libelpa19 (>= 2022.11.001)
- Eigenvalue SoLvers for Petaflop-Applications
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- dep: libfftw3-double3 (>= 3.3.10)
- 高速フーリエ変換計算ライブラリ - 倍精度
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- dep: libopenmpi3t64 (>= 4.1.6)
- high performance message passing library -- shared library
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- dep: libscalapack-openmpi2.2 (>= 2.2.1)
- Scalable Linear Algebra Package - Shared libs for OpenMPI
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- dep: libxc9 (>= 5.0.0)
- Library of Exchange-Correlation Functionals
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- dep: openmpi-bin
- high performance message passing library -- binaries
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.13)
- dep: python3 (>= 3.12~)
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- dep: python3-ase (>= 3.23.0)
- Atomic Simulation Environment (Python 3)
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- dep: python3-numpy (>= 1:1.25.0)
- Fast array facility to the Python language (Python 3)
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- dep: python3-numpy-abi9
- 以下のパッケージによって提供される仮想パッケージです: python3-numpy
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- dep: python3-scipy
- scientific tools for Python 3