Paket: mopac (22.0.6+dfsg-1 ve diğerleri)

mopac için bağlantılar

Debian Kaynakları:

mopac Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [openmopac.net]

Benzer paketler:

Molecular Orbital PACkage (MOPAC)

MOPAC is a general-purpose semiempirical molecular orbital package for the study of solid state and molecular structures and reactions.

The semiempirical Hamiltonians MNDO, AM1, PM3, PM6, RM1, MNDO-d and PM7 are used in the electronic part of the calculation to obtain molecular orbitals, the heat of formation and its derivative with respect to molecular geometry.

Using these results MOPAC calculates the vibrational spectra, thermodynamic quantities, isotopic substitution effects and force constants for molecules, radicals, ions, and polymers. For studying chemical reactions, a transition state location routine and two transition state optimizing routines are available. For users to get the most out of the program, they must understand how the program works, how to enter data, how to interpret the results, and what to do when things go wrong.

mopac ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

ya da libblas.so.3

sanal paketi sağlayan libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
dep: libc6 (>= 2.34)

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
dep: libgcc-s1 (>= 4.0)

GCC support library
dep: libgfortran5 (>= 10)

Runtime library for GNU Fortran applications
dep: libgomp1 (>= 4.2.1)

GCC OpenMP (GOMP) support library
dep: liblapack3

Library of linear algebra routines 3 - shared version

ya da liblapack.so.3

sanal paketi sağlayan libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

mopac indir

Tüm mevcut mimariler için indir
Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	22.0.6+dfsg-1+b1	1.917,9 kB	9.787,0 kB	[dosya listesi]
arm64	22.0.6+dfsg-1	1.687,4 kB	9.152,0 kB	[dosya listesi]
armel	22.0.6+dfsg-1	1.778,9 kB	10.294,0 kB	[dosya listesi]
armhf	22.0.6+dfsg-1	1.688,1 kB	8.254,0 kB	[dosya listesi]
i386	22.0.6+dfsg-1	1.741,1 kB	10.302,0 kB	[dosya listesi]
mips64el	22.0.6+dfsg-1	1.613,6 kB	10.065,0 kB	[dosya listesi]
mipsel	22.0.6+dfsg-1	1.656,8 kB	10.298,0 kB	[dosya listesi]
ppc64el	22.0.6+dfsg-1	1.803,8 kB	10.176,0 kB	[dosya listesi]
s390x	22.0.6+dfsg-1	1.656,1 kB	10.102,0 kB	[dosya listesi]