Package: mpqc (2.3.1-3) [universe]
Links for mpqc
Ubuntu Resources:
Download Source Package mpqc:
Maintainer:
Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.
Original Maintainers (usually from Debian):
- Debichem Team (Mail Archive)
- Michael Banck
- Daniel Leidert (dale)
- LI Daobing
It should generally not be necessary for users to contact the original maintainer.
External Resources:
- Homepage [www.mpqc.org]
Similar packages:
The Massively Parallel Quantum Chemistry Program
MPQC computes the properties of molecules through ab-initio methods. It can compute closed shell and general restricted open shell Hartree-Fock energies and gradients, density functional theory energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies, and second order closed shell Moeller-Plesset perturbation theory energies and gradients. It also includes an internal coordinate geometry optimizer.
MPQC is build upon the Scientific Computing Toolkit (SC).
Other Packages Related to mpqc
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- dep: libblas3gf
- Basic Linear Algebra Subroutines 3, shared library
- or libblas.so.3gf
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- dep: libgcc1 (>= 1:4.1.1-21)
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-
- dep: libgfortran2 (>= 4.2.1)
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-
- dep: liblapack3gf
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- or liblapack.so.3gf
- virtual package provided by libatlas3gf-3dnow, libatlas3gf-base, libatlas3gf-sse, libatlas3gf-sse2, liblapack3gf
- or libatlas3gf-base
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- dep: libsc7
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- dep: libstdc++6 (>= 4.2.1-4)
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- sug: mpqc-support
- Support programs and tools for MPQC
Download mpqc
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 335.0 kB | 2,264.0 kB | [list of files] |
| i386 | 333.8 kB | 2,240.0 kB | [list of files] |