[ etiona ]
[ Източник: molds ]
Пакет: molds (0.3.1-1build8)
Връзки за molds
Ресурси за Trisquel:
Изтегляне на пакет-източник molds.
Отговорник:
Original Maintainers:
- Debichem Team (Пощенски архив)
- Michael Banck
Външни препратки:
- Начална страница [en.sourceforge.jp]
Подобни пакети:
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.
Други пакети, свързани с molds
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- dep: libboost-mpi1.65.1
- C++ interface to the Message Passing Interface (MPI)
-
- dep: libboost-serialization1.65.1
- serialization library for C++
-
- dep: libboost-system1.65.1
- Operating system (e.g. diagnostics support) library
-
- dep: libboost-thread1.65.1
- portable C++ multi-threading
-
- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
- dep: libc6 (>= 2.4) [i386]
-
- dep: libgcc1 (>= 1:3.0)
- GCC support library
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: liblapacke
- Library of linear algebra routines 3 - C lib shared version
-
- dep: libopenblas-base
- Optimized BLAS (linear algebra) library (shared library)
-
- dep: libopenmpi2
- high performance message passing library -- shared library
-
- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
Изтегляне на molds
| Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
|---|---|---|---|
| amd64 | 379,1 кБ | 1473 кБ | [списък на файловете] |
| i386 | 384,4 кБ | 1500 кБ | [списък на файловете] |