[ 源代码： gpaw ]
软件包：gpaw（1.5.1-1）
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.
其他与 gpaw 有关的软件包
|
|
|
|
-
- dep: gpaw-data
- gpaw datasets/setups
-
- 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
-
- 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 (>= 2.17) [arm64]
- dep: libc6 (>= 2.4) [armhf, i386]
-
- dep: libfftw3-dev
- Library for computing Fast Fourier Transforms - development
-
- 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
-
- dep: libopenmpi3
- high performance message passing library -- shared library
-
- dep: libpython3.7 (>= 3.7.0)
- Shared Python runtime library (version 3.7)
-
- dep: libscalapack-openmpi2.0
- Scalable Linear Algebra Package - Shared libs for OpenMPI
-
- dep: libxc5 (>= 4.2.1-1)
- Library of Exchange-Correlation Functionals
-
- dep: python3
- 交互式高级面向对象语言（默认 python3 版本）
- dep: python3 (<< 3.8)
- dep: python3 (>= 3.7~)
-
- dep: python3-ase (>= 3.17.0)
- Atomic Simulation Environment (Python 3)
-
- dep: python3-numpy (>= 1:1.16.0~rc1)
- Fast array facility to the Python 3 language
-
- dep: python3-numpy-abi9
- 本虚包由这些包填实： python3-numpy
-
- rec: python3-scipy
- scientific tools for Python 3