[ Bron: molds ]
Pakket: molds (0.3.1-2 en anderen)
Verwijzigingen voor molds
Debian bronnen:
Het bronpakket molds downloaden:
Beheerders:
Externe bronnen:
- Homepage [osdn.net]
Vergelijkbare pakketten:
Semi-empirical electronic structure and molecular dynamics
MolDS is a semi-empirical electronic structure and molecular dynamics package.
Features includes:
* Semi-Empirical methods CNDO2, INDO, ZINDO/S, MNDO, AM1 and PM3 * Excited States via Single Configuration Interaction (CIS) * Dispersion corrections to AM1 (AM1-D) and PM3 (PM3-D) * Pairwise Distance Directed Gaussian (PDDG) correction to PM3 (PM3/PDDG) * Single-Point, geometry optimization, Molecular Dynamics (MD), Monte-Carlo (MC) and Polymer Molecular Dynamics (RPMD) type of calculations
MolDS currently ships parameters for the elements H, C, N, O, and S.
Andere aan molds gerelateerde pakketten
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- dep: libboost-mpi1.83.0 (>= 1.83.0)
- C++ interface to the Message Passing Interface (MPI)
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- dep: libboost-serialization1.83.0 (>= 1.83.0)
- serialization library for C++
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- dep: libboost-thread1.83.0 (>= 1.83.0)
- portable C++ multi-threading
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- dep: libc6 (>= 2.38)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
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- dep: libgcc-s1 (>= 3.0) [niet armhf, riscv64]
- GCC support bibliotheek
- dep: libgcc-s1 (>= 3.4) [riscv64]
- dep: libgcc-s1 (>= 3.5) [armhf]
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- dep: libgomp1 (>= 6)
- GCC OpenMP (GOMP) support library
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- dep: liblapacke (>= 3.12.0)
- Library of linear algebra routines 3 - C lib shared version
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- dep: libmpich12 [armhf, i386]
- Shared libraries for MPICH
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- dep: libopenblas0
- Optimized BLAS (linear algebra) library (meta)
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- dep: libopenmpi40 (>= 5.0.6) [niet armhf, i386]
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 14)
- GNU Standard C++ Library v3
molds downloaden
Platform | Versie | Pakketgrootte | Geïnstalleerde grootte | Bestanden |
---|---|---|---|---|
amd64 | 0.3.1-2+b1 | 416,9 kB | 1.528,0 kB | [overzicht] |
arm64 | 0.3.1-2+b1 | 360,8 kB | 1.388,0 kB | [overzicht] |
armhf | 0.3.1-2 | 347,8 kB | 1.018,0 kB | [overzicht] |
i386 | 0.3.1-2 | 411,7 kB | 1.558,0 kB | [overzicht] |
mips64el | 0.3.1-2+b1 | 368,4 kB | 1.898,0 kB | [overzicht] |
ppc64el | 0.3.1-2+b1 | 400,9 kB | 1.644,0 kB | [overzicht] |
riscv64 | 0.3.1-2+b1 | 400,6 kB | 1.164,0 kB | [overzicht] |
s390x | 0.3.1-2+b1 | 399,8 kB | 1.460,0 kB | [overzicht] |