from os import mkdir, getcwd from cPickle import dump from math import log10 from hamiltonian import ham from metropolis import metropolis from mfiter import RT from datrendering import datname cutoff=0.0032 h = ham(width=4,length=5,boundary='o',holes=[11]) ncir = 110 T = 100.0 lcir = int(log10(ncir)) + 1 dpath = 'data/' ddir = dpath + datname(T,h.g) + '/' print 'data stored in', ddir try: mkdir(dpath) except: print dpath,'exist' try: mkdir(ddir) except: raise OSError('Directory ' + ddir + ' exists.') mt = metropolis(h,T=T*RT,cutoff=cutoff) for i in xrange(ncir): df = open(ddir + 'c' + str(i).zfill(lcir) + '.dat', 'w') d, n, en, a = mt.next()
from hamiltonian import ham from metropolis import metropolis cutoff = 0.003 h = ham(length=5, width=4, holes=[[2, 1]]) mt = metropolis(h, cutoff=cutoff) for i in xrange(10): d, n, en, a = mt.next() print "" print "*****************" print " Cycle %s " % (i) print "*****************" print "" print "Acceptance rate:", a print "" print "Average particle densities:" print n print "" print "Average displacements:" print d
print "ndvertex:",a.ndvertex() print "pbn of hole:",a.pbneighb([0,5]) print "nlines:",a.nlines() b = a.lslines() print "len(lslines()):",len(b) #drawhoneycomb(a,output="h.eps") #drawgraphene(a,output="g.eps") '''ppservers=() ncpus=6 job_server = pp.Server(ncpus,ppservers=ppservers) job = job_server.submit(drawhoneycomb,(a,'g-','a.eps'),(jmultp,jtwop,savefig),("graphene","drawing","pylab","numpy")) print job() job_server.print_stats()''' a._displace(0,[0.1,0.1]) from hamiltonian import ham print "h = ham(graphene=a)" h = ham(graphene=a) print "h.g.size(1)",h.g.size(1) print "h.osc",h.osc hh = h.g.holes()[0] print "h.g.hole", hh hn = h.g.neighb(hh,'1d')[0] print "link(hn,hh):", h.g.link(hn,hh) print "h.osc",h.osc print "h.displace(0,[0.1,0.1])" h.displace(0,[0.1,0.1]) print "h.osc",h.osc c = eden(h) print "c = eden(h)" print h.Hj(0,c,[192,192])
from hamiltonian import ham from drawing import * from edensity import * from sympy import * from copy import deepcopy U, J, d, o, a, V0, V1, V2, s = symbols('U J d o a V0 V1 V2 s') h = ham(width=4, length=5, boundary='p', holes=[[2, 2]], coulomb=U, spincoupling=J, Ed=d, vibration=o, ssh=a) c = eden(h) c.V = [V0, V1, V2] #drawgraphene(h.g,output='hg.eps') print "h:", h print "c:", c b = deepcopy(c) s = .9 b.eden = array(map(lambda x: x + (-1)**x * s, c.eden)) mt = array([h.Ht([i, j]) for j in range(h.dim) for i in range(h.dim)]) mt.shape = h.dim, h.dim mo = array([h.Ho([i, j]) for j in range(h.dim) for i in range(h.dim)]) mo.shape = h.dim, h.dim h.displace(1, [.01, .01]) mt = array([h.Ht([i, j]) for j in range(h.dim) for i in range(h.dim)]) mt.shape = h.dim, h.dim
from os import mkdir, getcwd from cPickle import dump from math import log10 from hamiltonian import ham from metropolis import metropolis from mfiter import RT from datrendering import datname cutoff = 0.0032 h = ham(width=4, length=5, boundary='o', holes=[11]) ncir = 110 T = 100.0 lcir = int(log10(ncir)) + 1 dpath = 'data/' ddir = dpath + datname(T, h.g) + '/' print 'data stored in', ddir try: mkdir(dpath) except: print dpath, 'exist' try: mkdir(ddir) except: raise OSError('Directory ' + ddir + ' exists.') mt = metropolis(h, T=T * RT, cutoff=cutoff) for i in xrange(ncir): df = open(ddir + 'c' + str(i).zfill(lcir) + '.dat', 'w') d, n, en, a = mt.next()
from hamiltonian import ham from drawing import * from edensity import * from sympy import * from copy import deepcopy U, J, d, o, a, V0, V1, V2, s = symbols('U J d o a V0 V1 V2 s') h = ham(width=4,length=5,boundary='p',holes=[[2,2]], coulomb=U, spincoupling=J, Ed=d, vibration=o, ssh=a) c = eden(h) c.V = [V0, V1, V2] #drawgraphene(h.g,output='hg.eps') print "h:", h print "c:", c b = deepcopy(c) s = .9 b.eden = array(map(lambda x:x+(-1)**x*s, c.eden)) mt = array([h.Ht([i,j]) for j in range(h.dim) for i in range(h.dim)]);mt.shape = h.dim, h.dim mo = array([h.Ho([i,j]) for j in range(h.dim) for i in range(h.dim)]);mo.shape = h.dim, h.dim h.displace(1,[.01,.01]) mt = array([h.Ht([i,j]) for j in range(h.dim) for i in range(h.dim)]);mt.shape = h.dim, h.dim mo = array([h.Ho([i,j]) for j in range(h.dim) for i in range(h.dim)]);mo.shape = h.dim, h.dim h.displace(6,[0.,-.02]) mt = array([h.Ht([i,j]) for j in range(h.dim) for i in range(h.dim)]);mt.shape = h.dim, h.dim mo = array([h.Ho([i,j]) for j in range(h.dim) for i in range(h.dim)]);mo.shape = h.dim, h.dim h.displace(4,[0.,.02]) mt = array([h.Ht([i,j]) for j in range(h.dim) for i in range(h.dim)]);mt.shape = h.dim, h.dim mo = array([h.Ho([i,j]) for j in range(h.dim) for i in range(h.dim)]);mo.shape = h.dim, h.dim mu0 = array([h.Hu(0,c,[i,j]) for j in range(h.dim) for i in range(h.dim)]);mu0.shape = h.dim, h.dim mu1 = array([h.Hu(1,c,[i,j]) for j in range(h.dim) for i in range(h.dim)]);mu1.shape = h.dim, h.dim mu0b = array([h.Hu(0,b,[i,j]) for j in range(h.dim) for i in range(h.dim)]);mu0b.shape = h.dim, h.dim
print "ndvertex:", a.ndvertex() print "pbn of hole:", a.pbneighb([0, 5]) print "nlines:", a.nlines() b = a.lslines() print "len(lslines()):", len(b) #drawhoneycomb(a,output="h.eps") #drawgraphene(a,output="g.eps") '''ppservers=() ncpus=6 job_server = pp.Server(ncpus,ppservers=ppservers) job = job_server.submit(drawhoneycomb,(a,'g-','a.eps'),(jmultp,jtwop,savefig),("graphene","drawing","pylab","numpy")) print job() job_server.print_stats()''' a._displace(0, [0.1, 0.1]) from hamiltonian import ham print "h = ham(graphene=a)" h = ham(graphene=a) print "h.g.size(1)", h.g.size(1) print "h.osc", h.osc hh = h.g.holes()[0] print "h.g.hole", hh hn = h.g.neighb(hh, '1d')[0] print "link(hn,hh):", h.g.link(hn, hh) print "h.osc", h.osc print "h.displace(0,[0.1,0.1])" h.displace(0, [0.1, 0.1]) print "h.osc", h.osc c = eden(h) print "c = eden(h)" print h.Hj(0, c, [192, 192])
from hamiltonian import ham from metropolis import metropolis cutoff=0.003 h = ham(length=5,width=4,holes=[[2,1]]) mt = metropolis(h,cutoff=cutoff) for i in xrange(10): d, n, en, a = mt.next() print '' print '*****************' print ' Cycle %s ' % (i) print '*****************' print '' print 'Acceptance rate:', a print '' print 'Average particle densities:' print n print '' print 'Average displacements:' print d