Python gen_cre_linkstr示例

示例#1

 def test_des_linkstr(self):
     norb, nelec = 10, 4
     strs = cistring.gen_strings4orblist(range(norb), nelec)
     numpy.random.seed(11)
     mask = numpy.random.random(len(strs)) > .6
     strs = strs[mask]
     c_index0 = gen_cre_linkstr(strs, norb, nelec)
     c_index1 = selected_ci.gen_cre_linkstr(strs, norb, nelec)
     c_index1[:, :, 1] = 0
     self.assertTrue(numpy.all(c_index0 == c_index1))

示例#2

文件： test_selected_ci.py 项目： chrinide/pyscf

 def test_des_linkstr(self):
     norb, nelec = 10, 4
     strs = cistring.make_strings(range(norb), nelec)
     numpy.random.seed(11)
     mask = numpy.random.random(len(strs)) > .6
     strs = strs[mask]
     c_index0 = gen_cre_linkstr(strs, norb, nelec)
     c_index1 = selected_ci.gen_cre_linkstr(strs, norb, nelec)
     c_index1[:,:,1] = 0
     self.assertTrue(numpy.all(c_index0 == c_index1))