[ Quellcode: molds ]
Paket: molds (0.3.1-2)
Links für molds
Debian-Ressourcen:
Quellcode-Paket molds herunterladen:
Betreuer:
Externe Ressourcen:
- Homepage [osdn.net]
Ähnliche Pakete:
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 Pakete mit Bezug zu molds
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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)
- Serialisierungsbibliothek für C++
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- dep: libboost-thread1.83.0 (>= 1.83.0)
- Portierbares C++-Multi-Threading
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- dep: libc6 (>= 2.38)
- GNU-C-Bibliothek: Laufzeitbibliotheken
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC Support-Bibliothek
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- dep: libgomp1 (>= 6)
- Unterstützungsbibliothek für GCC OpenMP (GOMP)
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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
- Shared libraries for MPICH
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- dep: libopenblas0
- Optimized BLAS (linear algebra) library (meta)
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- dep: libstdc++6 (>= 14)
- GNU-Implementierung der Standard-C++-Bibliothek (Version 3)
molds herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| i386 | 411,7 kB | 1.558,0 kB | [Liste der Dateien] |