Package: molds (0.3.1-2 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 [osdn.net]

Similar packages:

Semiempirisk elektronisk struktur og molekylær dynamik

MolDS er en semiempirisk elektronisk struktur og molekylær dynamikpakke.

Indeholdte funktioner:

 * Semiempiriske metoder CNDO2, INDO, ZINDO/S, MNDO, AM1 og PM3
 * Excited States via Single Configuration Interaction (CIS)
 * Dispersion corrections til AM1 (AM1-D) og PM3 (PM3-D)
 * Pairwise Distance Directed Gaussian (PDDG)-korrektion til PM3
   (PM3/PDDG)
 * Single-Point-, geometrioptimerings-, Molecular Dynamics (MD)-,
   Monte-Carlo (MC)- og Polymer Molecular Dynamics (RPMD)-beregningstyper

MolDS indeholder i øjeblikket parametre for elementerne H, C, N, O og S.

Other Packages Related to molds

depends

recommends

suggests

enhances

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

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

Serialiseringsbibliotek for C++
dep: libboost-thread1.83.0 (>= 1.83.0)

flytbar C++-flertrådning
dep: libc6 (>= 2.38)

GNU C-bibliotek: Delte biblioteker
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 3.0) [not armhf, riscv64]

GCC støttebibliotek

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

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

GCC OpenMP-understøttelsesbibliotek (GOMP)
dep: liblapacke (>= 3.12.0)

Bibliotek for lineære algebrarutiner 3 - C lib-delt version
dep: libmpich12 [armhf, i386]

Delte biblioteker for MPICH
dep: libopenblas0

Optimeret BLAS-bibliotek (lineær algebra) - meta
dep: libopenmpi40 (>= 5.0.6) [not armhf, i386]

Bibliotek til beskedvideresendelse med høj ydelse - delt bibliotek
dep: libstdc++6 (>= 14)

GNU Standard C++ bibliotek v3

Download molds

Download for all available architectures
Architecture	Version	Package Size	Installed Size	Files
amd64	0.3.1-2+b1	416.9 kB	1,528.0 kB	[list of files]
arm64	0.3.1-2+b1	360.8 kB	1,388.0 kB	[list of files]
armhf	0.3.1-2	347.8 kB	1,018.0 kB	[list of files]
i386	0.3.1-2	411.7 kB	1,558.0 kB	[list of files]
ppc64el	0.3.1-2+b1	400.9 kB	1,644.0 kB	[list of files]
riscv64	0.3.1-2+b1	400.6 kB	1,164.0 kB	[list of files]
s390x	0.3.1-2+b1	399.8 kB	1,460.0 kB	[list of files]