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[ Source: molds ]
Paketti: molds (0.3.1-1build8)
Links for molds
Trisquel-palvelut:
Imuroi lähdekoodipaketti molds:
Ylläpitäjä:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
External Resources:
- Kotisivu [en.sourceforge.jp]
Samankaltaisia paketteja:
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.
Muut pakettiin molds liittyvät paketit
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- dep: libboost-mpi1.65.1
- C++ interface to the Message Passing Interface (MPI)
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- dep: libboost-serialization1.65.1
- serialization library for C++
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- dep: libboost-system1.65.1
- Operating system (e.g. diagnostics support) library
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- dep: libboost-thread1.65.1
- portable C++ multi-threading
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
myös näennäispaketti, jonka toteuttaa libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- dep: libgcc1 (>= 1:3.0)
- GCC support library
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: liblapacke
- Library of linear algebra routines 3 - C lib shared version
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- dep: libopenblas-base
- Optimized BLAS (linear algebra) library (shared library)
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- dep: libopenmpi2
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
Imuroi molds
| Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
|---|---|---|---|
| amd64 | 379.1 kt | 1473 kt | [tiedostoluettelo] |
| i386 | 384.4 kt | 1500 kt | [tiedostoluettelo] |