Paket: mopac (23.1.2-1 och andra)
Länkar för mopac
Debianresurser:
Hämta källkodspaketet mopac:
Ansvariga:
Externa resurser:
- Hemsida [openmopac.net]
Liknande paket:
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.
Andra paket besläktade med mopac
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- eller libblas.so.3
- virtuellt paket som tillhandahålls av libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.34) [i386, m68k, riscv64]
- GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6-udeb
- dep: libc6 (>= 2.35) [amd64, x32]
- dep: libc6 (>= 2.38) [arm64, armel, armhf, hppa, mips64el, ppc64, ppc64el, s390x, sparc64]
- dep: libc6 (>= 2.41) [loong64, sh4]
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- dep: libc6.1 (>= 2.37) [ia64]
- GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6.1-udeb
- dep: libc6.1 (>= 2.38) [alpha]
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- dep: libgcc-s1 (>= 4.0) [ej hppa, ia64, m68k]
- GCC stödbibliotek
- dep: libgcc-s1 (>= 4.2) [ia64]
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- dep: libgcc-s2 (>= 4.2.1) [m68k]
- GCC stödbibliotek
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- dep: libgcc-s4 (>= 4.1.1) [hppa]
- GCC stödbibliotek
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications
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- dep: libgomp1 (>= 4.2.1)
- GCC OpenMP (GOMP) support library
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- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- eller liblapack.so.3
- virtuellt paket som tillhandahålls av libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
Hämta mopac
| Arkitektur | Version | Paketstorlek | Installerad storlek | Filer |
|---|---|---|---|---|
| alpha (inofficiell anpassning) | 23.1.2-1 | 1.821,7 kbyte | 10.405,0 kbyte | [filförteckning] |
| amd64 | 23.1.2-1 | 1.988,6 kbyte | 10.096,0 kbyte | [filförteckning] |
| arm64 | 23.1.2-1 | 1.753,6 kbyte | 9.366,0 kbyte | [filförteckning] |
| armel | 23.1.2-1 | 1.838,3 kbyte | 10.583,0 kbyte | [filförteckning] |
| armhf | 23.1.2-1 | 1.748,4 kbyte | 8.471,0 kbyte | [filförteckning] |
| hppa (inofficiell anpassning) | 23.1.2-1 | 1.806,6 kbyte | 9.895,0 kbyte | [filförteckning] |
| i386 | 23.1.2-1 | 1.813,6 kbyte | 10.611,0 kbyte | [filförteckning] |
| ia64 (inofficiell anpassning) | 22.1.1-2 | 2.986,3 kbyte | 17.023,0 kbyte | [filförteckning] |
| loong64 (inofficiell anpassning) | 23.1.2-1 | 1.837,0 kbyte | 9.619,0 kbyte | [filförteckning] |
| m68k (inofficiell anpassning) | 23.1.2-1 | 1.388,5 kbyte | 9.501,0 kbyte | [filförteckning] |
| mips64el | 23.1.2-1 | 1.679,6 kbyte | 10.341,0 kbyte | [filförteckning] |
| ppc64 (inofficiell anpassning) | 23.1.2-1 | 1.819,9 kbyte | 10.452,0 kbyte | [filförteckning] |
| ppc64el | 23.1.2-1 | 1.856,9 kbyte | 10.326,0 kbyte | [filförteckning] |
| riscv64 | 23.1.2-1 | 2.057,7 kbyte | 8.940,0 kbyte | [filförteckning] |
| s390x | 23.1.2-1 | 2.013,3 kbyte | 10.963,0 kbyte | [filförteckning] |
| sh4 (inofficiell anpassning) | 23.1.2-1 | 1.838,7 kbyte | 8.973,0 kbyte | [filförteckning] |
| sparc64 (inofficiell anpassning) | 23.1.2-1 | 1.804,5 kbyte | 12.395,0 kbyte | [filförteckning] |
| x32 (inofficiell anpassning) | 23.1.2-1 | 1.916,2 kbyte | 9.809,0 kbyte | [filförteckning] |