Paket: libxtb-dev (6.5.1-3)
libxtb-dev için bağlantılar
Debian Kaynakları:
- Hata Raporları
- Developer Information
- Debian Değişim Günlüğü
- Telif Hakkı Dosyası
- Debian Yama Takipçisi
xtb Kaynak Paketini İndir:
Geliştiriciler:
Dış Kaynaklar:
- Ana Sayfa [github.com]
Benzer paketler:
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.
libxtb-dev ile İlgili Diğer Paketler
|
|
|
|
-
- dep: libxtb6 (= 6.5.1-3)
- shared library for xtb
libxtb-dev indir
Mimari | Paket Boyutu | Kurulu Boyut | Dosyalar |
---|---|---|---|
ppc64el | 10,4 kB | 47,0 kB | [dosya listesi] |