Paket: molds (0.3.1-1 ve diğerleri)

molds için bağlantılar

Debian Kaynakları:

molds Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [en.sourceforge.jp]

Benzer paketler:

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.

molds ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

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 Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
dep: libgcc-s1 (>= 3.0)

GCC support library
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 indir

Tüm mevcut mimariler için indir
Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
s390x	0.3.1-1 b4	334,7 kB	1.392,0 kB	[dosya listesi]