Paketti: libxtb6 (6.5.1-3)

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Samankaltaisia paketteja:

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.

Tagit: Role: Shared Library

Muut pakettiin libxtb6 liittyvät paketit

depends

recommends

suggests

enhances

dep: libc6 (>= 2.29)

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libgfortran5 (>= 10)

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

GCC OpenMP (GOMP) support library
dep: libmctc-lib0 (>= 0.3.1)

modular computation tool chain library
dep: libopenblas0

Optimized BLAS (linear algebra) library (meta)

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Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
arm64	1,432.0 kt	4,860.0 kt	[tiedostoluettelo]