Package: mopac (23.1.2-1 and others)

[ Source: mopac  ]

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.

Other Packages Related to mopac

• dep: libblas3

  기본 선형 대수 참조 구현, 공유 라이브러리

  or libblas.so.3

  virtual package provided by libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libc6 (>= 2.34) [i386, riscv64]

  GNU C 라이브러리: 공유 라이브러리
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.35) [amd64]

  dep: libc6 (>= 2.38) [armhf, ppc64el, s390x]

  dep: libc6 (>= 2.39) [arm64]

• dep: libgcc-s1 (>= 4.0)

  GCC 기능 지원 라이브러리

• dep: libgfortran5 (>= 10)

  GNU 포트란 어플리케이션 런타임 라이브러리

• dep: libgomp1 (>= 4.2.1)

  GCC OpenMP (GOMP) 지원 라이브러리

• dep: liblapack3

  선형 대수 루틴 3 라이브러리 - 공유 버젼

  or liblapack.so.3

  virtual package provided by liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

Download mopac

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
amd64	23.1.2-1	1,988.6 kB	10,096.0 kB	[list of files]
arm64	23.1.2-1+b1	1,672.1 kB	9,367.0 kB	[list of files]
armhf	23.1.2-1	1,748.4 kB	8,471.0 kB	[list of files]
i386	23.1.2-1	1,813.6 kB	10,611.0 kB	[list of files]
ppc64el	23.1.2-1	1,856.9 kB	10,326.0 kB	[list of files]
riscv64	23.1.2-1	2,057.7 kB	8,940.0 kB	[list of files]
s390x	23.1.2-1	2,013.3 kB	10,963.0 kB	[list of files]