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153162 of 116975 results
153.
ABI Generic Analysis and Instrumentation Library (tools)
Summary
(no translation yet)
Located in Package: abigail-tools
154.
package for electronic structure calculations
Summary
paquet pour les calculs de structure électronique
Translated and reviewed by Pierre Slamich
Located in Package: abinit
155.
This package contains the executables needed to perform calculations (however, pseudopotentials are not supplied). For a set of pseudopotentials, install the abinit-data package.
Description
Ce paquet fournit les exécutables nécessaires aux calculs (mais les pseudo-potentiels ne sont pas fournis). Le paquet abinit-data fournit un ensemble de pseudo-potentiels.
Translated by Michael Vogt
Located in Package: abinit
156.
package for electronic structure calculations (Data files)
Summary
paquet pour les calculs de structure électronique (fichiers de données)
Translated and reviewed by Pierre Slamich
Located in Package: abinit-data
157.
This package contains a set of pseudopotentials and example inputs.
Description
Ce paquet contient un ensemble de pseudo-potentiels et d'exemples d'entrées.
Translated by Pascal Maugendre
Reviewed by Pierre Slamich
Located in Package: abinit-data
158.
package for electronic structure calculations (Documentation)
Summary
paquet pour les calculs de structure électronique (Documentation)
Translated and reviewed by Pierre Slamich
Located in Package: abinit-doc
159.
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis.
Description
ABINIT est un paquet dont le programme principal permet de trouver l'énergie totale, la densité de charge et la structure électronique de systèmes composés d'électrons et de noyaux (molécules et solides périodiques) dans le cadre de la théorie fonctionnelle de la densité (DFT, «[nbsp]Density Functional Theory[nbsp]») en utilisant des pseudo-potentiels et une base d'onde plane.
Translated by Michael Vogt
Located in Package: abinit-doc Package: abinit-data Package: abinit
160.
ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
Description
ABINIT inclut également des options pour optimiser la géométrie suivant les forces et stress de la DFT, pour faire des simulations de dynamique moléculaire en utilisant ces forces ou pour créer des matrices dynamiques, des charges effectives de Born et des tenseurs diélectriques. Les états excités peuvent être calculés suivant la DFT dépendante du temps (pour les molécules) ou suivant la théorie des perturbations multicorps (l'approximation GW). En plus du code principal d'ABINIT, différents utilitaires sont fournis.
Translated by Michael Vogt
Located in Package: abinit-doc Package: abinit-data Package: abinit
161.
This package contains the documentation and tutorials.
Description
Ce paquet contient la documentation et des tutoriels.
Translated and reviewed by Pierre Slamich
Located in Package: abinit-doc
162.
efficient, featureful word processor with collaboration
Summary
Traitement de texte complet et efficace permettant le travail en équipe
Translated by Michael Vogt
Located in Package: abiword
153162 of 116975 results

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