Pakket: libxtb6 (6.5.1-3)
Verwijzigingen voor libxtb6
Debian bronnen:
Het bronpakket xtb downloaden:
Beheerders:
Externe bronnen:
- Homepage [github.com]
Vergelijkbare pakketten:
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.
Andere aan libxtb6 gerelateerde pakketten
|
|
|
|
-
- dep: libc6 (>= 2.29)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: 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)