以前のリビジョンの文書です


ListOfAtomsオブジェクト

from ASE import ListOfAtoms
a = ListOfAtoms([])
a = ListOfAtoms([p1])
a = ListOfAtoms([Atom('H', (0, 0, 0), tag = 1, magmom = 1.0)])
a = ListOfAtoms([p1], cell = (4, 4, 4))
a = ListOfAtoms([p1], cell = [(4, 0, 0), (0, 4, 0), (0, 0, 4)])
ab_initio/listofatomsオブジェクト.1232009626.txt.gz · 最終更新: 2009/01/15 17:53 by kimi
www.chimeric.de Creative Commons License Valid CSS Driven by DokuWiki do yourself a favour and use a real browser - get firefox!! Recent changes RSS feed Valid XHTML 1.0