Paket: libxtb6 (6.5.1-3)

[ Kaynak: xtb  ]

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.

Etiketler: Rol: Paylaşılan Kitaplık

libxtb6 ile İlgili Diğer Paketler

• dep: libc6 (>= 2.29)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket 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)

libxtb6 indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
ppc64el	1.618,2 kB	5.756,0 kB	[dosya listesi]