Paketti: libxtb6 (6.7.0-1)
Links for libxtb6
Debian-palvelut:
Imuroi lähdekoodipaketti xtb:
Ylläpitäjät:
External Resources:
- Kotisivu [github.com]
Samankaltaisia paketteja:
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.
Muut pakettiin libxtb6 liittyvät paketit
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- tai libblas.so.3
- näennäispaketti, jonka toteuttaa libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.29)
- GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
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- dep: libgcc-s1 (>= 4.0)
- GCC:n apukirjasto
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications
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- dep: libgomp1 (>= 9)
- GCC OpenMP (GOMP) support library
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- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- tai liblapack.so.3
- näennäispaketti, jonka toteuttaa liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libmctc-lib0 (>= 0.3.1)
- modular computation tool chain library
Imuroi libxtb6
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
---|---|---|---|
amd64 | 1,770.0 kt | 6,167.0 kt | [tiedostoluettelo] |
arm64 | 1,598.7 kt | 5,377.0 kt | [tiedostoluettelo] |
armhf | 1,602.1 kt | 4,471.0 kt | [tiedostoluettelo] |
i386 | 1,768.7 kt | 6,479.0 kt | [tiedostoluettelo] |
mips64el | 1,542.7 kt | 5,776.0 kt | [tiedostoluettelo] |
ppc64el | 1,819.7 kt | 6,337.0 kt | [tiedostoluettelo] |
s390x | 1,868.0 kt | 6,469.0 kt | [tiedostoluettelo] |