keystr += " E "
outpstr += (" %25.15E" % (eig[iopstate]))
keystr += " Eex "
outpstr += (" %25.15E" % (eig[iopstate] - eig[0]))
mean_num = np.zeros(nsites, dtype=np.double)
mean_dble_occ = np.zeros(nsites, dtype=np.double)
mean_sdots = np.zeros((nsites, nsites), dtype=np.double)
for isite in range(0, nsites):
tmp_mean_num = 0.e0
for iflv in range(0, Mf):
num = [fermion.Number(Mf, 1 + 0j, isite, iflv, 'N')]
tmp_mean_num += np.real(
fermion.ExpectationValue(num, fockspace, mat_idx, gs))
mean_num[isite] = tmp_mean_num
dble_occ = [fermion.DoubleOcc(Mf, 1 + 0j, isite, 'D')]
mean_dble_occ[isite] = np.real(
fermion.ExpectationValue(dble_occ, fockspace, mat_idx, gs))
for jsite in range(isite, nsites):
sdots_oper = fermion.SdotS(Mf, 1 + 0j, isite, jsite, 'S')
tmp_mean_sdots = np.real(
fermion.ExpectationValue(sdots_oper, fockspace, mat_idx, gs))
mean_sdots[isite, jsite] = tmp_mean_sdots
if jsite > isite:
mean_sdots[jsite, isite] = tmp_mean_sdots
for isite in range(0, nsites):
keystr += (" N" + "%0d" % (isite))
keystr += " E "
outpstr += (" %25.15E"%(eig[iopstate]))
keystr += " Eex "
outpstr += (" %25.15E"%(eig[iopstate]-eig[0]))
mean_num = np.zeros(nsites,dtype=np.double)
mean_dble_occ = np.zeros(nsites,dtype=np.double)
mean_sdots = np.zeros((nsites, nsites),dtype=np.double)
for isite in range(0,nsites):
tmp_mean_num = 0.e0
for iflv in range(0,Mf):
num = [fermion.Number(Mf,1+0j,isite,iflv,'N')]
tmp_mean_num += np.real(fermion.ExpectationValue(num, fockspace, mat_idx, gs))
mean_num[isite] = tmp_mean_num
dble_occ = [fermion.DoubleOcc(Mf,1+0j,isite,'D')]
mean_dble_occ[isite] = np.real(fermion.ExpectationValue(dble_occ,
fockspace, mat_idx, gs))
for jsite in range(isite,nsites) :
sdots_oper = fermion.SdotS(Mf,1+0j,isite,jsite,'S')
tmp_mean_sdots = np.real(fermion.ExpectationValue(sdots_oper,
fockspace,
mat_idx, gs))
mean_sdots[isite,jsite] = tmp_mean_sdots
if jsite > isite :
mean_sdots[jsite,isite] = tmp_mean_sdots