def sweep_updateBoundary(dmrg, ncsite, sitelst, qred, srotR, status):
if ncsite == 2:
if status == 'L' and sitelst[-1] == dmrg.nsite - 1:
# >>> Only the gs state is saved for generating MPS.
smat = srotR[0]
norm = numpy.linalg.norm(smat)
if (not dmrg.ifpt) or (dmrg.ifpt and dmrg.ifcompression):
smat = smat / norm
key = mpo_dmrg_dotutil.floatKey(dmrg.qsectors.keys()[0])
qsym = [numpy.array(eval(key))]
if dmrg.ifQt:
qtmp = qtensor.qtensor([False, False, True])
qtmp.fromDenseTensor(smat,
[qred, dmrg.qphys[dmrg.nsite - 1], qsym])
smat = qtmp
# DUMP
mpo_dmrg_io.saveQnum(dmrg.flmps, dmrg.nsite, qsym)
mpo_dmrg_io.saveSite(dmrg.flmps, dmrg.nsite - 1, smat)
elif status == 'R' and sitelst[0] == 0:
# >>> Only the gs state is saved for generating MPS.
smat = srotR[0]
norm = numpy.linalg.norm(smat)
if (not dmrg.ifpt) or (dmrg.ifpt and dmrg.ifcompression):
smat = smat / norm
key = mpo_dmrg_dotutil.floatKey(dmrg.qsectors.keys()[0])
qsym = [numpy.array(eval(key))]
if dmrg.ifQt:
qtmp = qtensor.qtensor([True, False, False])
qtmp.fromDenseTensor(smat, [qsym, dmrg.qphys[0], qred])
smat = qtmp
# DUMP
mpo_dmrg_io.saveQnum(dmrg.frmps, 0, qsym)
mpo_dmrg_io.saveSite(dmrg.frmps, 0, smat)
return 0
def sweep_updateSite(dmrg, isite, ncsite, sigs, qred, site, status):
# Update symmetry and save sites
if status == 'L':
# Example:[==**-] isite=2, lmps[2], qnuml[3]
dmrg.sigsl[isite + 1] = sigs.copy()
dmrg.qnuml[isite + 1] = qred.copy()
if dmrg.ifQt:
qtmp = qtensor.qtensor([False, False, True])
# Ql[i-1] + Qn[i] = Ql[i]
qtmp.fromDenseTensor(site, [dmrg.qlst[0], dmrg.qlst[1], qred])
siteN = qtmp
else:
siteN = site.copy()
# DUMP
mpo_dmrg_io.saveQnum(dmrg.flmps, isite + 1, qred)
mpo_dmrg_io.saveSite(dmrg.flmps, isite, siteN)
elif status == 'R':
# Example: [--**=] isite=2, jsite=3, rmps[3], qnumr[3]
jsite = isite + ncsite - 1
dmrg.sigsr[jsite] = sigs.copy()
dmrg.qnumr[jsite] = qred.copy()
if dmrg.ifQt:
qtmp = qtensor.qtensor([True, False, False])
# Qr[i-1] = Qn[i] + Qr[i]
qtmp.fromDenseTensor(site, [qred, dmrg.qlst[-2], dmrg.qlst[-1]])
siteN = qtmp
else:
siteN = site.copy()
# DUMP
mpo_dmrg_io.saveQnum(dmrg.frmps, jsite, qred)
mpo_dmrg_io.saveSite(dmrg.frmps, jsite, siteN)
return siteN
def default(self,sc,fmps=None):
rank = self.comm.rank
self.schedule = sc
self.crit_tol = sc.tol
if rank == 0:
print '\n[mpo_dmrg_class.default]'
mpo_dmrg_prt.title(self)
ti = time.time()
# Count states
self.initStates()
if rank == 0:
# Only set Dcut for rank-0 is sufficient,
# as RDM truncation is done here.
if self.Dcut is not None:
print ' Dcut = ',self.Dcut
# Similar to qnuml and qnumr
assert len(self.Dcut) == self.nsite-1
self.Dcut = [1]+self.Dcut+[1]
# LogFile in current directory
flog_name = 'log_'+os.path.split(self.path)[-1]
print ' flog_name =',flog_name
flog = open(flog_name,'w')
flog.write('path:'+self.path+'\n')
# MPSfile
self.flmps = h5py.File(self.path+'/lmps','w')
self.frmps = h5py.File(self.path+'/rmps','w')
self.flmps['nsite'] = self.nsite
self.frmps['nsite'] = self.nsite
mpo_dmrg_io.saveQnum(self.flmps,0,self.qnuml[0])
mpo_dmrg_io.saveQnum(self.frmps,self.nsite,self.qnumr[-1])
# Initialize L-MPS by a single left sweep
if fmps is None:
# This is not allowed for using Qt.
assert self.ifQt == False
self.status = 'init'
self.Dmax = self.schedule.MaxMs[0]
self.crit_e = self.schedule.Tols[0]
self.noise = self.schedule.Noises[0]
mpo_dmrg_util.initMPS(self)
# Use L-MPS from input
else:
self.comm.Barrier()
# Not only requires qnuml for setting up mpo_dmrg_util
self.qnuml = mpo_dmrg_io.loadQnums(fmps)
# but also the sites are needed to be copied to flmps!
mpo_dmrg_io.copyMPS(self.flmps,fmps,self.ifQt)
self.comm.Barrier()
# Initialize operators
mpo_dmrg_util.initOps(self,fmps)
# Optimize
self.comm.Barrier()
self.esweeps = []
self.psi0 = None
self.eav = []
self.dwt = []
sitelst = range(self.nsite)
ifconv = False
deltaE = 1.e3
eold = 1.e3
isweep = -1
# Optimize following the schedule
for isweep in range(self.schedule.maxiter):
if rank == 0: print '\n'+'#'*30+' isweep = ',isweep,'#'*30
t0 = time.time()
# Record status
self.isweep = isweep
# Setup parameters
self.schedule.getParameters(self,isweep)
# Optimization
result1 = mpo_dmrg_opt.sweep(self,sitelst,self.ncsite,'R',ifsym=self.ifsym)
result2 = mpo_dmrg_opt.sweep(self,sitelst,self.ncsite,'L',ifsym=self.ifsym)
nmvp1,indx1,eav1,dwt1,elst1,dlst1 = result1
nmvp2,indx2,eav2,dwt2,elst2,dlst2 = result2
if rank == 0: mpo_dmrg_prt.flogWrite(self,flog,isweep,result1,result2)
self.nmvp.append(nmvp1+nmvp2)
self.esweeps += elst1+elst2
if eav1 < eav2:
self.eav.append(eav1)
self.dwt.append(dwt1)
eav = eav1
else:
self.eav.append(eav2)
self.dwt.append(dwt2)
eav = eav2
# Check convergence
t1 = time.time()
self.Energy = eav
deltaE = eav-eold
if rank == 0: print 'Summary: isweep=',isweep,' Emin=',eav,\
' dE=%9.2e tol=%8.1e t=%8.1e s'%(deltaE,self.crit_tol,t1-t0)
# Check convergence
ifconv = self.schedule.checkConv(self,isweep,deltaE)
eold = eav
if ifconv: break
# Save
self.ifconv = ifconv
self.nsweep = isweep + 1
self.deltaE = deltaE
tf = time.time()
self.comm.Barrier()
# Adjust a little bit to allow isweep = 0.
# The only problem is the R-MPS is not initialized.
if rank == 0 and isweep != -1: mpo_dmrg_prt.finalSweep(self,tf-ti)
if rank == 0: flog.close()
self.comm.Barrier()
return 0