Пакет: libxtb6 (6.7.1-2)

Ссылки для libxtb6

Отслеживание заплат eLxr

Исходный код xtb:

Сопровождающие:

Внешние ресурсы:

Сайт [github.com]

Подобные пакеты:

shared library for xtb

xtb program performs semiempirical quantummechanical calculations. The underlying effective Hamiltonian is derived from density functional tight binding (DFTB). This implementation of the xTB Hamiltonian is currently compatible with the zeroth, first and second level parametrisation for geometries, frequencies and non-covalent interactions (GFN) as well as with the ionisation potential and electron affinity (IPEA) parametrisation of the GFN1 Hamiltonian. The generalized born (GB) model with solvent accessable surface area (SASA) is also available available in this version. Ground state calculations for the simplified Tamm-Danceoff approximation (sTDA) with the vTB model are currently not implemented.

This package contains the shared library.

Другие пакеты, относящиеся к libxtb6

зависимости

рекомендации

предложения

enhances

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

или libblas.so.3

виртуальный пакет, предоставляемый libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.29)

GNU C Library: Shared libraries
также виртуальный пакет, предоставляемый libc6-udeb
dep: libgcc-s1 (>= 4.0)

GCC support library
dep: libgfortran5 (>= 10)

Runtime library for GNU Fortran applications
dep: libgomp1 (>= 9)

GCC OpenMP (GOMP) support library
dep: liblapack3

Library of linear algebra routines 3 - shared version

или liblapack.so.3

виртуальный пакет, предоставляемый liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libmctc-lib0 (>= 0.3.2)

modular computation tool chain library

Загрузка libxtb6

Загрузить для всех доступных архитектур
Архитектура	Размер пакета	В установленном виде	Файлы
amd64	1 796,7 Кб	6 288,0 Кб	[список файлов]