Pakket: molds (0.3.1-1 en anderen)

Verwijzigingen voor molds

Debian bronnen:

Het bronpakket molds downloaden:

Beheerders:

Debichem Team (QA-pagina, Mailarchief)
Michael Banck (QA-pagina)

Externe bronnen:

Homepage [en.sourceforge.jp]

Vergelijkbare pakketten:

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 aan molds gerelateerde pakketten

depends

recommends

suggests

enhances

dep: libboost-mpi1.74.0 (>= 1.74.0)

C++ interface to the Message Passing Interface (MPI)
dep: libboost-serialization1.74.0 (>= 1.74.0)

serialization library for C++
dep: libboost-thread1.74.0 (>= 1.74.0)

portable C++ multi-threading
dep: libc6 (>= 2.29)

GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
dep: libgcc-s1 (>= 3.0) [amd64, i386, s390x]

GCC support bibliotheek

dep: libgcc-s1 (>= 3.4.4) [ppc64el]

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

dep: libgcc-s1 (>= 4.5) [arm64, mips64el]
dep: libgomp1 (>= 6)

GCC OpenMP (GOMP) support library
dep: liblapacke (>= 3.9.0)

Library of linear algebra routines 3 - C lib shared version
dep: libopenblas0

Optimized BLAS (linear algebra) library (meta)
dep: libopenmpi3 (>= 4.0.5)

high performance message passing library -- shared library
dep: libstdc++6 (>= 9)

GNU Standard C++ Library v3

molds downloaden

Pakket downloaden voor alle beschikbare platforms
Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	0.3.1-1+b9	392,1 kB	1.444,0 kB	[overzicht]
arm64	0.3.1-1+b9	335,6 kB	1.256,0 kB	[overzicht]
armhf	0.3.1-1+b9	315,5 kB	931,0 kB	[overzicht]
i386	0.3.1-1+b9	392,1 kB	1.486,0 kB	[overzicht]
mips64el	0.3.1-1+b4	344,8 kB	1.805,0 kB	[overzicht]
ppc64el	0.3.1-1+b8	381,0 kB	1.584,0 kB	[overzicht]
s390x	0.3.1-1+b4	334,7 kB	1.392,0 kB	[overzicht]