Package: molds (0.3.1-1 and others)

Links for molds

Debian Resources:

Download Source Package molds:

Maintainers:

Debichem Team (QA Page, Mail Archive)
Michael Banck (QA Page)

External Resources:

Homepage [en.sourceforge.jp]

Similar packages:

dinamica molecolare e strutture elettroniche semi-empiriche

MolDS è un pacchetto per dinamica molecolare e strutture elettroniche semi-empiriche.

Le funzionalità includono:

 * metodi semi-empirici: CNDO2, INDO, ZINDO/S, MNDO, AM1 e PM3;
 * stati eccitati attraverso CIS (Single Configuration Interaction);
 * correzioni di dispersione per AM1 (AM1-D) e PM3 (PM3-D);
 * correzione PDDG (Pairwise Distance Directed Gaussian) per PM3
   (PM3/PDDG);
 * tipi di calcolo Single-Point, ottimizzazione geometrica, MD (Molecular
   Dynamics), MC (Monte-Carlo) e  RPMD (Polymer Molecular Dynamics).

MolDS attualmente fornisce parametri per gli elementi H, C, N, O e S.

Other Packages Related to molds

depends

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suggests

enhances

dep: libboost-mpi1.83.0 (>= 1.83.0)

interfaccia C++ per MPI (Message Passing Interface)
dep: libboost-serialization1.83.0 (>= 1.83.0)

libreria di serializzazione per C++
dep: libboost-system1.83.0 (>= 1.83.0) [sparc64]

libreria per accedere al sistema operativo (es. supporto diagnostico)
dep: libboost-thread1.83.0 (>= 1.83.0)

multi-thread C++ portabile
dep: libc6 (>= 2.34)

Libreria C GNU: librerie condivise
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 3.0) [not armhf, riscv64, sparc64]

libreria di supporto a GCC

dep: libgcc-s1 (>= 3.4) [riscv64, sparc64]

dep: libgcc-s1 (>= 3.5) [armhf]
dep: libgomp1 (>= 6)

libreria di supporto GOMP (GCC OpenMP)
dep: liblapacke (>= 3.12.0)

libreria di routine per l'algebra lineare 3 - versione condivisa della libreria C
dep: libopenblas0

libreria BLAS (algebra lineare) ottimizzata (metapacchetto)
dep: libopenmpi3t64 (>= 4.1.6)

libreria per il passaggio di messaggi dalle alte prestazioni - libreria condivisa
dep: libstdc++6 (>= 13.1)

libreria GNU Standard C++, versione 3

Download molds

Download for all available architectures
Architecture	Version	Package Size	Installed Size	Files
amd64	0.3.1-1+b11	387.5 kB	1,395.0 kB	[list of files]
arm64	0.3.1-1+b11	329.8 kB	1,263.0 kB	[list of files]
armhf	0.3.1-1+b11	308.9 kB	918.0 kB	[list of files]
i386	0.3.1-1+b11	385.9 kB	1,445.0 kB	[list of files]
mips64el	0.3.1-1+b6	344.2 kB	1,767.0 kB	[list of files]
ppc64 (unofficial port)	0.3.1-1+b11	377.7 kB	1,651.0 kB	[list of files]
ppc64el	0.3.1-1+b10	379.5 kB	1,519.0 kB	[list of files]
riscv64	0.3.1-1+b2	375.8 kB	1,107.0 kB	[list of files]
s390x	0.3.1-1+b6	373.8 kB	1,383.0 kB	[list of files]
sparc64 (unofficial port)	0.3.1-1+b6	304.8 kB	2,104.0 kB	[list of files]