Package: xtb (6.7.1-3)

[ Source: xtb  ]

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

• dep: libblas3

  기본 선형 대수 참조 구현, 공유 라이브러리

  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) [i386, riscv64]

  GNU C 라이브러리: 공유 라이브러리
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.35) [amd64]

  dep: libc6 (>= 2.38) [not amd64, i386, riscv64]

• dep: libgcc-s1 (>= 4.0)

  GCC 기능 지원 라이브러리

• dep: libgfortran5 (>= 10)

  GNU 포트란 어플리케이션 런타임 라이브러리

• dep: libgomp1 (>= 9)

  GCC OpenMP (GOMP) 지원 라이브러리

• dep: liblapack3

  선형 대수 루틴 3 라이브러리 - 공유 버젼

  or liblapack.so.3

  virtual package provided by liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libmctc-lib0 (>= 0.3.2)

  modular computation tool chain library

Download xtb

Download for all available architectures

Architecture	Package Size	Installed Size	Files
amd64	1,804.3 kB	6,205.0 kB	[list of files]
arm64	1,585.2 kB	5,351.0 kB	[list of files]
armhf	1,608.3 kB	4,449.0 kB	[list of files]
i386	1,771.4 kB	6,526.0 kB	[list of files]
ppc64el	1,852.7 kB	6,247.0 kB	[list of files]
riscv64	1,769.5 kB	4,959.0 kB	[list of files]
s390x	1,903.8 kB	6,507.0 kB	[list of files]