{"id":100,"date":"2009-07-14T10:17:35","date_gmt":"2009-07-14T08:17:35","guid":{"rendered":"http:\/\/localhost\/Arina\/?p=100"},"modified":"2022-09-20T23:38:39","modified_gmt":"2022-09-20T21:38:39","slug":"nwchem","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/software-de-calculo\/nwchem","title":{"rendered":"NWchem"},"content":{"rendered":"<h2>Informaci\u00f3n general<\/h2>\n<p>Nwchem es un paquete de qu\u00edmica computacional con varios m\u00e9todos para calcular propiedades de sistemas moleculares y peri\u00f3dicos, usando descripciones mec\u00e1nico-cu\u00e1nticas est\u00e1ndar para las funciones de onda o la densidad electr\u00f3nica. Adem\u00e1s, puede realizar simulaciones de din\u00e1mica molecular y QM\/MM. La versi\u00f3n que est\u00e1 instalada es la versi\u00f3n 5.1.<\/p>\n<h2>Como mandar NWchem<\/h2>\n<p>Ver la secci\u00f3n del sistema de colas [intlink id=\u00bb222&#8243; type=\u00bbpost\u00bb]como mandar trabajos NWchem[\/intlink].<\/p>\n<h2>M\u00e1s informaci\u00f3n<\/h2>\n<p><a href=\"http:\/\/www.emsl.pnl.gov\/docs\/nwchem\/nwchem.html\" target=\"_blank\" rel=\"noopener\">Nwchem home page<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Informaci\u00f3n general Nwchem es un paquete de qu\u00edmica computacional con varios m\u00e9todos para calcular propiedades de sistemas moleculares y peri\u00f3dicos, usando descripciones mec\u00e1nico-cu\u00e1nticas est\u00e1ndar para las funciones de onda o la densidad electr\u00f3nica. Adem\u00e1s, puede realizar simulaciones de din\u00e1mica molecular y QM\/MM. La versi\u00f3n que est\u00e1 instalada es la versi\u00f3n 5.1. Como mandar NWchem Ver &hellip; <a href=\"https:\/\/www.ehu.eus\/sgi\/software-de-calculo\/nwchem\" class=\"more-link\">Seguir leyendo <span class=\"screen-reader-text\">NWchem<\/span> <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_links_to":"","_links_to_target":""},"categories":[142,158,148,3],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/100"}],"collection":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/comments?post=100"}],"version-history":[{"count":26,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/100\/revisions"}],"predecessor-version":[{"id":9111,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/100\/revisions\/9111"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=100"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=100"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=100"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}