Paket: molds (0.3.1-1build8)

Links für molds

Trisquel-Ressourcen:

Quellcode-Paket molds herunterladen:

Betreuer:

Ubuntu Developers (E-Mail-Archiv)

Original Maintainers:

Debichem Team (E-Mail-Archiv)
Michael Banck

Externe Ressourcen:

Homepage [en.sourceforge.jp]

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-mpi1.65.1

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
auch ein virtuelles Paket, bereitgestellt durch 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

molds herunterladen

Download für alle verfügbaren Architekturen
Architektur	Paketgröße	Größe (installiert)	Dateien
amd64	379,1 kB	1473 kB	[Liste der Dateien]
i386	384,4 kB	1500 kB	[Liste der Dateien]

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