Package: xtb (6.7.0-1)

Links for xtb

Debian Resources:

Download Source Package xtb:

Maintainers:

Debichem Team (QA Page, Mail Archive)
Andrius Merkys (QA Page)

External Resources:

Homepage [github.com]

Similar packages:

semiempirical extended tight-binding program package

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.

Other Packages Related to xtb

depends

recommends

suggests

enhances

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

or libblas.so.3

virtual package provided by libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C könyvtár: megosztott könyvtárak
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 4.0)

GCC támogató programkönyvtár
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

or liblapack.so.3

virtual package provided by liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libmctc-lib0 (>= 0.3.1)

modular computation tool chain library

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Architecture	Package Size	Installed Size	Files
armhf	1,601.3 kB	4,433.0 kB	[list of files]