def driver(spinfile, interactionfile, direction, steps, kMin, kMax):
    #    myfilestr=spinfile#r'c:\spins.txt'
    #    myspins=readfiles.read_spins(myfilestr)#Returns all spins from file in array form
    #    spins=readfiles.find_collinear(myspins)#This is actually a list of Rotation matrices
    #    print 'driver spins',spins

    # Now that rotation matrices are calculated algebraically, there si no need for
    # find_collinear.  The functionality of read_spins has been put into readFiles

    # myfilestr=interactionfile#r'c:\montecarlo.txt'

    # any atom.spin opbjects past here would have actually been rotation matrices
    # so they can be replaced with the new spinRmatrix
    atom_list, jnums, jmats, N_atoms_uc = readfiles.readFiles(interactionfile, spinfile)
    # sympy.matrices.Matrix
    # atom_list[1].spinRmatrix = N.matrix([[-1, 0, 0],
    #                                     [0, 1, 0],
    #                                     [0,0,-1]],'Float64')

    N_atoms = len(atom_list)
    # N_atoms_uc=1
    print "N_atoms", N_atoms, "Natoms_uc", N_atoms_uc
    # atom_list=generate_atoms()
    # atom_list=generate_atoms_rot()
    for atom in atom_list:
        print atom.neighbors
        print atom.interactions

    Hsave = calculate_dispersion(atom_list, N_atoms_uc, N_atoms, jmats, showEigs=True)

    qrange = []
    wrange = []
    for q in N.arange(kMin, kMax, kMax / steps):
        wrange.append(calc_eigs(Hsave, q * direction["kx"], q * direction["ky"], q * direction["kz"]))
        qrange.append(q)

    wrange = N.real(wrange)
    wrange = N.array(wrange)
    wrange = N.real(wrange.T)

    for wrange1 in wrange:
        pylab.plot(qrange, wrange1, "s")

    direction = {}
    direction["kx"] = 0.0
    direction["ky"] = 1.0
    direction["kz"] = 0.0
    # pylab.figure()
    # calc_eigs(Hsave,direction,steps)

    pylab.show()
    # for figwin in Gcf.get_all_fig_managers():
    #    figwin.frame.Show()
    print jmats
    print direction
    print steps
    print spinfile
    print interactionfile
Example #2
0
def driver1(spinfile,interactionfile):
    """generates Hsave"""
    atom_list, jnums, jmats,N_atoms_uc=readfiles.readFiles(interactionfile,spinfile)
    N_atoms=len(atom_list)

    print 'N_atoms',N_atoms,'Natoms_uc',N_atoms_uc

    for atom in atom_list:
        print atom.neighbors
        print atom.interactions
    
    Hsave = calculate_dispersion(atom_list,N_atoms_uc,N_atoms,jmats,showEigs=False)   
    
    print 'driver1: complete'
    print Hsave
    
    return Hsave
def driver1(spinfile,interactionfile):
    """generates Hsave"""
    atom_list, jnums, jmats,N_atoms_uc=readfiles.readFiles(interactionfile,spinfile)
    N_atoms=len(atom_list)

    print 'N_atoms',N_atoms,'Natoms_uc',N_atoms_uc

    for atom in atom_list:
        print atom.neighbors
        print atom.interactions
    
    Hsave = calculate_dispersion(atom_list,N_atoms_uc,N_atoms,jmats,showEigs=False)   
    
    print 'driver1: complete'
    print Hsave
    
    Hamfile = open('Hsave.txt','w')
    Hamfile.write(sympy.sstr(Hsave))
    Hamfile.close()
    
    return Hsave
Example #4
0
def driver1(spinfile, interactionfile):
    """generates Hsave"""
    atom_list, jnums, jmats, N_atoms_uc = readfiles.readFiles(
        interactionfile, spinfile)
    N_atoms = len(atom_list)

    print 'N_atoms', N_atoms, 'Natoms_uc', N_atoms_uc

    for atom in atom_list:
        print atom.neighbors
        print atom.interactions

    Hsave = calculate_dispersion(atom_list,
                                 N_atoms_uc,
                                 N_atoms,
                                 jmats,
                                 showEigs=False)

    print 'driver1: complete'
    print Hsave

    return Hsave