Paket: molds (0.3.1-1 och andra)

Länkar för molds

Debianresurser:

Hämta källkodspaketet molds:

Ansvariga:

Debichem Team (QA-sida, E-postarkiv)
Michael Banck (QA-sida)

Externa resurser:

Hemsida [en.sourceforge.jp]

Liknande paket:

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.

Andra paket besläktade med molds

beror

rekommenderar

föreslår

enhances

dep: libboost-mpi1.67.0

C++ interface to the Message Passing Interface (MPI)
dep: libboost-serialization1.67.0

serialization library for C++
dep: libboost-system1.67.0

Operating system (e.g. diagnostics support) library
dep: libboost-thread1.67.0

portable C++ multi-threading
dep: libc6 (>= 2.14) [amd64]

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6-udeb

dep: libc6 (>= 2.17) [arm64]

dep: libc6 (>= 2.3.6-6~) [i386]

dep: libc6 (>= 2.4) [armhf]
dep: libgcc1 (>= 1:3.0) [amd64, i386]

GCC stödbibliotek

dep: libgcc1 (>= 1:3.5) [armhf]

dep: libgcc1 (>= 1:4.5) [arm64]
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: libopenmpi3

high performance message passing library -- shared library
dep: libstdc++6 (>= 5.2)

GNU standardbibliotek v3 för C++

Hämta molds

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
amd64	0.3.1-1+b7	383,9 kbyte	1.481,0 kbyte	[filförteckning]
arm64	0.3.1-1+b7	335,1 kbyte	1.325,0 kbyte	[filförteckning]
armhf	0.3.1-1+b7	307,6 kbyte	959,0 kbyte	[filförteckning]
i386	0.3.1-1+b7	384,4 kbyte	1.503,0 kbyte	[filförteckning]