Pacote: libxtb6 (6.7.1-2)

Links para libxtb6

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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.

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dep: libblas3

Basic Linear Algebra Reference implementations, shared library

ou libblas.so.3

pacote virtual fornecido por libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.29) [amd64]

GNU C Library: Shared libraries
também um pacote virtual fornecido por libc6-udeb

dep: libc6 (>= 2.38) [arm64]
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

ou liblapack.so.3

pacote virtual fornecido por liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libmctc-lib0 (>= 0.3.2)

modular computation tool chain library

Download de libxtb6

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Arquitetura	Tamanho do pacote	Tamanho instalado	Arquivos
amd64	1,796.7 kB	6,288.0 kB	[lista de arquivos]
arm64	1,634.4 kB	5,441.0 kB	[lista de arquivos]