Balík: libxtb-dev (6.7.0-1)
Odkazy pre libxtb-dev
Zdroje Debian:
Stiahnuť zdrojový balík xtb:
Správcovia:
Externé zdroje:
- Domovská stránka [github.com]
Podobné balíky:
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.
Ostatné balíky súvisiace s balíkom libxtb-dev
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- dep: libxtb6 (= 6.7.0-1)
- shared library for xtb
Stiahnuť libxtb-dev
| Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
|---|---|---|---|
| amd64 | 10.9 kB | 48.0 kB | [zoznam súborov] |
| arm64 | 10.9 kB | 48.0 kB | [zoznam súborov] |
| armhf | 10.9 kB | 48.0 kB | [zoznam súborov] |
| i386 | 10.9 kB | 48.0 kB | [zoznam súborov] |
| mips64el | 10.9 kB | 48.0 kB | [zoznam súborov] |
| ppc64el | 10.9 kB | 48.0 kB | [zoznam súborov] |
| s390x | 10.9 kB | 48.0 kB | [zoznam súborov] |