Paketti: libxtb-dev (6.7.0-1)
Links for libxtb-dev
Debian-palvelut:
Imuroi lähdekoodipaketti xtb:
Ylläpitäjät:
External Resources:
- Kotisivu [github.com]
Samankaltaisia paketteja:
development files 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 development files.
Muut pakettiin libxtb-dev liittyvät paketit
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- dep: libxtb6 (= 6.7.0-1)
- shared library for xtb
Imuroi libxtb-dev
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
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i386 | 10.9 kt | 48.0 kt | [tiedostoluettelo] |