ifQt = False
ifs2proj = True
flmpsQ = h5py.File('./lmpsQ1', 'r')
flmps0 = h5py.File('./lmps0', 'w')
qtensor_api.fmpsQtReverse(flmpsQ, flmps0, 'L')
flmps1 = h5py.File('./lmps1', 'w')
# Conversion
t0 = time.time()
mpo_dmrg_conversion.sweep_projection(flmps0, flmps1, ifQt, sval, thresh=1.e-4)
t1 = time.time()
print 'dt=', (t1 - t0)
flmps2 = h5py.File('./lmpsQ2', 'w')
qtensor_api.fmpsQt(flmps1, flmps2, 'L')
#=== Check ===#
import h5py
import shutil
import numpy
from mpi4py import MPI
from zmpo_dmrg.source.itools.molinfo import class_molinfo
from zmpo_dmrg.source import mpo_dmrg_class
from zmpo_dmrg.source import mpo_dmrg_schedule
#==================================
# Main program
#==================================
comm = MPI.COMM_WORLD
dmrg.build()
dmrg.comm = mol.comm
dmrg.qsectors = {str([mol.nelec, sz]): 1}
sc = mpo_dmrg_schedule.schedule()
sc.fixed(maxM=1, maxiter=0)
sc.prt()
dmrg.ifIO = True
dmrg.ifQt = False
dmrg.partition()
dmrg.loadInts(mol)
dmrg.dumpMPO()
dmrg.default(sc)
dmrg.checkMPS()
flmps1 = h5py.File(dmrg.path + '/lmpsQ0', 'w')
qtensor_api.fmpsQt(dmrg.flmps, flmps1, 'L')
flmps1.close()
dmrg.final()
################################
# 1. Using an MPS in Qt form
################################
flmps1 = h5py.File(dmrg.path + '/lmpsQ0', 'r')
dmrg2 = mpo_dmrg_class.mpo_dmrg()
dmrg2.nsite = mol.sbas / 2
dmrg2.sbas = mol.sbas
dmrg2.isym = 2
dmrg2.build()
dmrg2.comm = mol.comm
dmrg2.qsectors = {str([mol.nelec, sz]): 1}
dmrg.comm = mol.comm
dmrg.qsectors = {str([mol.nelec, sz]): 1}
sc = mpo_dmrg_schedule.schedule()
sc.fixed(maxM=100, maxiter=0)
sc.prt()
dmrg.ifIO = True
dmrg.partition()
dmrg.loadInts(mol)
dmrg.dumpMPO()
dmrg.default(sc)
dmrg.checkMPS()
#-------------------------------------------------------
flmps0 = dmrg.flmps
flmps1 = h5py.File(dmrg.path + '/lmpsQt', 'w')
qtensor_api.fmpsQt(flmps0, flmps1, 'L')
flmps0.close()
if sc.maxiter > 0:
frmps0 = dmrg.frmps
frmps1 = h5py.File(dmrg.path + '/rmpsQt', 'w')
qtensor_api.fmpsQt(frmps0, frmps1, 'R')
frmps0.close()
#-------------------------------------------------------
################################
# 1. Using an MPS in Qt form
################################
dmrg2 = mpo_dmrg_class.mpo_dmrg()
dmrg2.nsite = mol.sbas / 2
dmrg2.sbas = mol.sbas
sc.prt()
dmrg.ifQt = False
dmrg.partition()
#====================================
dmrg.h1e = tmatrix
dmrg.model_Usite = us
dmrg.dumpMPO_Model("HubbardGeneral")
#====================================
dmrg.default(sc)
dmrg.checkMPS()
if rank == 0:
#-------------------------------------------------------
flmps0 = dmrg.flmps
flmps1 = h5py.File(dmrg.path + '/lmpsQt', 'w')
qtensor_api.fmpsQt(flmps0, flmps1, 'L', isym=isym)
flmps0.close()
flmps1.close()
if ifQt:
shutil.copy(dmrg.path + '/lmpsQt', './lmpsQ0')
else:
shutil.copy(dmrg.path + '/lmps', './lmpsQ0')
#-------------------------------------------------------
else:
# 1. Using an MPS in Qt form
flmps1 = h5py.File('./lmpsQ0', 'r')
dmrg2 = mpo_dmrg_class.mpo_dmrg()
dmrg2.nsite = nsite
dmrg2.sbas = nsite * 2
