Paketti: molds (0.3.1-2 ja muut)

Links for molds

Debian-palvelut:

Imuroi lähdekoodipaketti molds:

Ylläpitäjät:

External Resources:

Kotisivu [osdn.net]

Samankaltaisia paketteja:

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.

Muut pakettiin molds liittyvät paketit

depends

recommends

suggests

enhances

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

C++ interface to the Message Passing Interface (MPI)
dep: libboost-serialization1.83.0 (>= 1.83.0)

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

portable C++ multi-threading
dep: libc6 (>= 2.38)

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libgcc-s1 (>= 3.0) [ei armhf, riscv64]

GCC:n apukirjasto

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

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

GCC OpenMP (GOMP) support library
dep: liblapacke (>= 3.12.0)

Library of linear algebra routines 3 - C lib shared version
dep: libmpich12 [armhf, i386]

Shared libraries for MPICH
dep: libopenblas0

Optimized BLAS (linear algebra) library (meta)
dep: libopenmpi40 (>= 5.0.6) [ei armhf, i386]

high performance message passing library -- shared library
dep: libstdc++6 (>= 14)

GNU standardi C++ -kirjasto, versio 3

Imuroi molds

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri	Versio	Paketin koko	Koko asennettuna	Tiedostot
amd64	0.3.1-2+b1	416.9 kt	1,528.0 kt	[tiedostoluettelo]
arm64	0.3.1-2+b1	360.8 kt	1,388.0 kt	[tiedostoluettelo]
armhf	0.3.1-2	347.8 kt	1,018.0 kt	[tiedostoluettelo]
i386	0.3.1-2	411.7 kt	1,558.0 kt	[tiedostoluettelo]
ppc64el	0.3.1-2+b1	400.9 kt	1,644.0 kt	[tiedostoluettelo]
riscv64	0.3.1-2+b1	400.6 kt	1,164.0 kt	[tiedostoluettelo]
s390x	0.3.1-2+b1	399.8 kt	1,460.0 kt	[tiedostoluettelo]