Balík: libxtb6 (6.5.1-3)
Odkazy pre libxtb6
Zdroje Debian:
Stiahnuť zdrojový balík xtb:
Správcovia:
Externé zdroje:
- Domovská stránka [github.com]
Podobné balíky:
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.
Ostatné balíky súvisiace s balíkom libxtb6
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- dep: libc6 (>= 2.29)
- knižnica GNU C - zdieľané knižnice
tiež virtuálny balík poskytovaný balíkom libc6-udeb
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- dep: libgfortran5 (>= 10)
- zdieľaná knižnica pre aplikácie GNU Fortran
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- dep: libgomp1 (>= 9)
- podporná knižnica GCC OpenMP (GOMP)
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- dep: libmctc-lib0 (>= 0.3.1)
- modular computation tool chain library
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- dep: libopenblas0
- Optimized BLAS (linear algebra) library (meta)
Stiahnuť libxtb6
Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
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arm64 | 1,432.0 kB | 4,860.0 kB | [zoznam súborov] |