Package: mopac (22.1.1-2)
Links for mopac
Debian Resources:
Download Source Package mopac:
Maintainers:
External Resources:
- Homepage [openmopac.net]
Similar packages:
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
- Basic Linear Algebra Reference implementations, shared library
- or libblas.so.3
- virtual package provided by libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
-
- dep: libc6 (>= 2.34)
- GNU C könyvtár: megosztott könyvtárak
also a virtual package provided by libc6-udeb
-
- dep: libgcc-s1 (>= 4.0)
- GCC támogató programkönyvtár
-
- 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
- or liblapack.so.3
- virtual package provided by libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
Download mopac
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| mips64el | 1,654.9 kB | 10,266.0 kB | [list of files] |