def akai_voldep(*dir_list): i = 0 output = [] for dir in dir_list: os.chdir(dir) plt = PlotResults(dir, 1) Data = AkaiKKR() HD = MakePattern([[]], "") dirlist = HD.get_keyword_dir(".", "latt*") Data.data_array = Data.get_data(dirlist, 'output') fitpara = plt.Ene_Vol_single(Data.data_array, i, '') out = [dir] + fitpara.tolist() output.append(out) #print a #xi, yi, Murnaghan_param = plt.Murnaghan_fit(Data.data_array['volume'], # Data.data_array['energy']) #plt.Ene_CovA(Data.data_array, 1, "none") #print Murnaghan_param i += 5 os.chdir('..') pylab.savefig('%s.eps' % dir) #pylab.show() for out in output: for val in out: print val, print '\n',
def _tri_nn(cls, spins): """ 第二隣接を含む二等辺三角形クラスターの相関関数 """ sp_gp = cls._nn_combi(spins) quad = [x[0] + x[1] for x in MakePattern.nCrList(sp_gp, 2)] tri = [y for x in quad for y in MakePattern.nCrList(x, 3)] return cls.sum_spins(tri)
def _pair(cls, spins): """ 第一隣接の二体クラスターの相関関数 """ sp_gp = cls._nn_combi(spins) #pair_gp = itertools.combinations(sp_gp, 2) pair_gp = MakePattern.nCrList(sp_gp, 2) pair = [y for x in pair_gp for y in MakePattern.make_tree(*x)] return cls.sum_spins(pair)
def _tri(cls, spins): """ 第一隣接のみの正三角形クラスターの相関関数 """ sp_gp = cls._nn_combi(spins) return cls.sum_spins(MakePattern.make_tree(*sp_gp))