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
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
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