Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/PyQuante> ?p ?o }
Showing triples 1 to 49 of
49
with 100 triples per page.
- PyQuante abstract "PyQuante is an open-source (BSD) suite of programs for developing quantum chemistry methods using Gaussian type orbital (GTO) basis sets. The program is written in the Python programming language, but has "rate-determining" modules written in C for speed, and also uses and requires the NumPy linear algebra extensions to Python. The resulting code, though not as fast as other quantum chemistry programs, is much easier to understand and modify. The goal of this software is not necessarily to provide a working quantum chemistry program but rather to provide a set of tools so that scientists can construct their own quantum chemistry programs without going through the tedium of having to write every low-level routine.".
- PyQuante wikiPageExternalLink pyquante.sourceforge.net.
- PyQuante wikiPageExternalLink ~rmuller.
- PyQuante wikiPageID "22344920".
- PyQuante wikiPageLength "2058".
- PyQuante wikiPageOutDegree "23".
- PyQuante wikiPageRevisionID "579791837".
- PyQuante wikiPageWikiLink BSD.
- PyQuante wikiPageWikiLink Basis_set_(chemistry).
- PyQuante wikiPageWikiLink Berkeley_Software_Distribution.
- PyQuante wikiPageWikiLink C_(programming_language).
- PyQuante wikiPageWikiLink Category:Computational_chemistry_software.
- PyQuante wikiPageWikiLink Configuration_interaction.
- PyQuante wikiPageWikiLink DIIS.
- PyQuante wikiPageWikiLink Density_functional_theory.
- PyQuante wikiPageWikiLink Gaussian_orbital.
- PyQuante wikiPageWikiLink Generalized_gradient_approximation.
- PyQuante wikiPageWikiLink Hartree–Fock.
- PyQuante wikiPageWikiLink Hartree–Fock_method.
- PyQuante wikiPageWikiLink John_Pople.
- PyQuante wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- PyQuante wikiPageWikiLink List_of_quantum_chemistry_and_solid_state_physics_software.
- PyQuante wikiPageWikiLink Local-density_approximation.
- PyQuante wikiPageWikiLink MINDO.
- PyQuante wikiPageWikiLink Martin_Head-Gordon.
- PyQuante wikiPageWikiLink Møller–Plesset_perturbation_theory.
- PyQuante wikiPageWikiLink NumPy.
- PyQuante wikiPageWikiLink Optimized-effective_potential.
- PyQuante wikiPageWikiLink Python_(programming_language).
- PyQuante wikiPageWikiLink Semi-empirical_quantum_chemistry_method.
- PyQuante wikiPageWikiLink Semiempirical.
- PyQuante wikiPageWikiLink Unrestricted_Hartree–Fock.
- PyQuante wikiPageWikiLinkText "PyQuante".
- PyQuante hasPhotoCollection PyQuante.
- PyQuante wikiPageUsesTemplate Template:Physical-chemistry-stub.
- PyQuante wikiPageUsesTemplate Template:Quantum-stub.
- PyQuante subject Category:Computational_chemistry_software.
- PyQuante hypernym Suite.
- PyQuante type Article.
- PyQuante type Software.
- PyQuante type Article.
- PyQuante type Mechanic.
- PyQuante comment "PyQuante is an open-source (BSD) suite of programs for developing quantum chemistry methods using Gaussian type orbital (GTO) basis sets. The program is written in the Python programming language, but has "rate-determining" modules written in C for speed, and also uses and requires the NumPy linear algebra extensions to Python. The resulting code, though not as fast as other quantum chemistry programs, is much easier to understand and modify.".
- PyQuante label "PyQuante".
- PyQuante sameAs m.05s_wg7.
- PyQuante sameAs Q7262802.
- PyQuante sameAs Q7262802.
- PyQuante wasDerivedFrom PyQuante?oldid=579791837.
- PyQuante isPrimaryTopicOf PyQuante.