def dump_raw(self):
for k, v in zip(self.__dict__.keys(), self.__dict__.values()):
try:
print k
pretty_print(v)
except:
print v
print ""
def print_1rdm(rdm):
#fmt = '% -016.10E'
fmt = '%e'
L = int(rdm.props["L"])
mat = np.zeros((L, L))
for lab, val in zip(rdm.x, rdm.y[0]):
i = lab[0]
j = lab[1]
mat[i, j] = val
mat[j, i] = val
pretty_print(mat)
str(i) + ' ' + str(j) + ' ' + str(fmt % val_real) + ' ' +
str(fmt % val_imag) + '\n')
if __name__ == '__main__':
inputfile = sys.argv[1]
props = DmrgInput.loadProperties(inputfile)
if props["symmetry"] == "u1dg":
print_rdm1(inputfile, sys.argv[2])
else:
dm_ = oneptdm(inputfile)
dm = dm_.rdm()
pretty_print(dm)
blocks = [len(dm)]
if len(sys.argv) == 3:
orbfile = sys.argv[2]
irrlist = read_irreps(orbfile)
blocks = np.bincount(irrlist)[1:]
print "Point group blocks", blocks
bstart = 0
for l in blocks:
subblock = dm[bstart:bstart + l, bstart:bstart + l]
diag_dm(subblock)
bstart += l
def load_1spdm(inputfile):
"""From the diagonal and upper triangle, construct a symmetric matrix
diag: diagonal
triang: upper triangle, sequential reversed rows"""
diagup = pyalps.loadEigenstateMeasurements([inputfile], what='Nup')[0][0]
diagdown = pyalps.loadEigenstateMeasurements([inputfile],
what='Ndown')[0][0]
triangup = pyalps.loadEigenstateMeasurements([inputfile],
what='dm_up')[0][0]
triangdown = pyalps.loadEigenstateMeasurements([inputfile],
what='dm_down')[0][0]
# Create the full matrix from the diagonal (nup.y[0]) and upper triangle (dmup)
dmu = assemble_halfcorr(diagup.y[0], triangup)
dmd = assemble_halfcorr(diagdown.y[0], triangdown)
# this is the spin-density matrix
ds = dmu - dmd
return ds
if __name__ == '__main__':
inputfile = sys.argv[1]
spdm = load_1spdm(inputfile)
pretty_print(spdm)
return cf
def dump_raw(self):
for k, v in zip(self.__dict__.keys(), self.__dict__.values()):
try:
print k
pretty_print(v)
except:
print v
print ""
if __name__ == '__main__':
inputfile = sys.argv[1]
guinea_pig = MaquisMeasurement(inputfile)
print "s1 matrix"
print guinea_pig.s1()
print "s2 matrix"
s2m = guinea_pig.s2()
pretty_print(s2m)
print "I (mutual information)"
pretty_print(guinea_pig.I())
#guinea_pig.dump_raw()