packages
[ ソース: psi4 ]
パッケージ: psi4 (1:1.3.2+dfsg-5build3) [universe]
psi4 に関するリンク
Ubuntu の資源:
psi4 ソースパッケージをダウンロード:
メンテナ:
Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.
Original Maintainers (usually from Debian):
- Debichem Team (メールアーカイブ)
- Michael Banck
- Graham Inggs
It should generally not be necessary for users to contact the original maintainer.
外部の資源:
- ホームページ [www.psicode.org]
類似のパッケージ:
Quantum Chemical Program Suite
その他の psi4 関連パッケージ
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- または libblas.so.3
- 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: libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.38)
- GNU C Library: Shared libraries
-
- dep: libchemps2-3t64 (>= 1.8.7)
- Spin-adapted DMRG for ab initio quantum chemistry
-
- dep: libgcc-s1 (>= 3.3.1) [armhf, riscv64 以外]
- GCC support library
- dep: libgcc-s1 (>= 3.4) [riscv64]
- dep: libgcc-s1 (>= 3.5) [armhf]
-
- dep: libgg2 (>= 2.0.7)
- Computing gaussians on a grid
-
- dep: libgomp1 (>= 6)
- GCC OpenMP (GOMP) support library
-
- dep: libint1
- Evaluate the integrals in modern atomic and molecular theory
-
- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- または liblapack.so.3
- 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: libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
-
- dep: libstdc++6 (>= 13.1)
- GNU Standard C++ Library v3
-
- dep: libxc9 (>= 5.0.0)
- Library of Exchange-Correlation Functionals
-
- dep: psi4-data (= 1:1.3.2+dfsg-5build3)
- Quantum Chemical Program Suite (data files)
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.13)
- dep: python3 (>= 3.12~)
-
- dep: python3-deepdiff
- Deep Difference and search of any Python object/data
-
- dep: python3-networkx
- tool to create, manipulate and study complex networks (Python3)
-
- dep: python3-numpy
- Fast array facility to the Python language (Python 3)
-
- dep: python3-pybind11
- pybind11 helper module for Python 3
-
- dep: python3-qcelemental
- Periodic table, physical constants, and molecule parsing for quantum chemistry