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[ Source: psi4  ]

Links for psi4

Ubuntu-palvelut:

• Vikailmoitukset
• Ubuntu-muutosloki
• Tekijänoikeustiedosto

Imuroi lähdekoodipaketti psi4:

• [psi4_1.3.2+dfsg-6.dsc]
• [psi4_1.3.2+dfsg.orig.tar.xz]
• [psi4_1.3.2+dfsg-6.debian.tar.xz]

Ylläpitäjä:

• Ubuntu MOTU Developers (Mail Archive)

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

Original Maintainers (usually from Debian):

• Debichem Team (Mail Archive)
• Michael Banck
• Graham Inggs

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

External Resources:

• Kotisivu [www.psicode.org]

Samankaltaisia paketteja:

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

Muut pakettiin psi4 liittyvät paketit

depends

recommends

suggests

enhances

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  tai libblas.so.3

  näennäispaketti, jonka toteuttaa 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) [ei armhf, riscv64]

  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

  tai liblapack.so.3

  näennäispaketti, jonka toteuttaa liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libstdc++6 (>= 14)

  GNU Standard C++ Library v3

• dep: libxc9 (>= 5.0.0)

  Library of Exchange-Correlation Functionals

• dep: psi4-data (= 1:1.3.2+dfsg-6)

  Quantum Chemical Program Suite (data files)

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.14)

  dep: python3 (>= 3.13~)

• 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

  Python library for numerical computations (Python 3)

• dep: python3-pint

  define, operate and manipulate physical quantities - Python 3.x

• dep: python3-pybind11

  pybind11 helper module for Python 3

• dep: python3-qcelemental

  Periodic table, physical constants, and molecule parsing for quantum chemistry

Imuroi psi4

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	6,766.2 kt	23,934.0 kt	[tiedostoluettelo]
arm64	6,090.6 kt	21,357.0 kt	[tiedostoluettelo]
armhf	6,532.4 kt	17,447.0 kt	[tiedostoluettelo]
ppc64el	6,513.1 kt	25,389.0 kt	[tiedostoluettelo]
riscv64	6,965.1 kt	21,507.0 kt	[tiedostoluettelo]
s390x	7,207.2 kt	24,692.0 kt	[tiedostoluettelo]