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5071550724 of 76009 results
50715.
Homepage: http://www.musepack.net/
Description
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Site Internet: http://www.musepack.net/
Translated by Pierre Slamich
Located in Package: mppenc
50716.
Massively Parallel Quantum Chemistry Program
Summary
programme de chimie quantique massivement parallèle
Translated by Michael Vogt
Located in Package: mpqc
50717.
It can compute energies and gradients for the following methods:
* Closed shell and general restricted open shell Hartree-Fock (HF)
* Density Functional Theory (DFT)
* Closed shell second-order Moeller-Plesset pertubation theory (MP2)
Summary
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(no translation yet)
Located in Package: mpqc
50718.
Additionally, it can compute energies for the following methods:
* Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
* Second order open shell pertubation theory (OPT2[2])
* Z-averaged pertubation theory (ZAPT2)
Description
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(no translation yet)
Located in Package: mpqc
50719.
It also includes an internal coordinate geometry optimizer.
Description
Il comporte également un optimiseur interne de géométrie analytique.
Translated by Michael Vogt
Located in Package: mpqc
50720.
MPQC is built upon the Scientific Computing Toolkit (SC).
Description
MPQC est basé sur la boîte à outils scientifique SC («[nbsp]Scientific Computing Toolkit[nbsp]»).
Translated by Michael Vogt
Located in Package: mpqc
50721.
Massively Parallel Quantum Chemistry Program (OpenMPI transitional package)
Summary
(no translation yet)
Located in Package: mpqc-openmpi
50722.
This package merely depends on the main (MPI-enabled) mpqc package.
Description
(no translation yet)
Located in Package: mpqc-openmpi
50723.
Massively Parallel Quantum Chemistry Program (support tools)
Summary
Massively Parallel Quantum Chemistry –[nbsp]outils d’assistance
Translated by Michael Vogt
Located in Package: mpqc-support
50724.
MPQC is an ab-inito quantum chemistry program. It is especially designed to compute molecules in a highly parallelized fashion.
Description
MPQC est un programme de chimie quantique ab initio. Il est spécialement conçu pour effectuer des calculs sur les molécules de manière hautement parallélisée.
Translated by Michael Vogt
Located in Package: mpqc-support Package: mpqc
5071550724 of 76009 results

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