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[ Quellcode: psi4  ]

Links für psi4

Ubuntu-Ressourcen:

• Fehlerberichte

Quellcode-Paket psi4 herunterladen:

• [psi4_1.3.2+dfsg-5build3.dsc]
• [psi4_1.3.2+dfsg.orig.tar.xz]
• [psi4_1.3.2+dfsg-5build3.debian.tar.xz]

Betreuer:

• Ubuntu Developers (E-Mail-Archiv)

Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.

Original Maintainers (usually from Debian):

• Debichem Team (E-Mail-Archiv)
• Michael Banck
• Graham Inggs

It should generally not be necessary for users to contact the original maintainer.

Externe Ressourcen:

• Homepage [www.psicode.org]

Ähnliche Pakete:

• libpsi3-dev
• psi4-data
• mpqc
• mpqc-support
• ergo
• python3-qcengine
• ergo-data
• calligrastage
• bkchem
• libopenbabel7
• libopenbabel-doc

Andere Pakete mit Bezug zu psi4

hängt ab von

empfiehlt

schlägt vor

enhances

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  oder libblas.so.3

  virtuelles Paket, bereitgestellt durch libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• 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)

  GCC support library

• 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

  oder liblapack.so.3

  virtuelles Paket, bereitgestellt durch 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

psi4 herunterladen

Download für alle verfügbaren Architekturen

Architektur	Paketgröße	Größe (installiert)	Dateien
arm64	5.771,2 kB	20.525,0 kB	[Liste der Dateien]