Lines Matching refs:orbspin
100 orbspin = numpy.zeros((len(kpts),nmo[0]+nmo[1]), dtype=int)
101 orbspin[:,1::2] = 1
104 r1 = kccsd.spatial2spin(t1, orbspin, kconserv)
105 r1 = kccsd.spin2spatial(r1, orbspin, kconserv)
109 r2 = kccsd.spatial2spin(t2, orbspin, kconserv)
110 r2 = kccsd.spin2spatial(r2, orbspin, kconserv)
176 orbspin = numpy.zeros((len(kpts),nmo[0]+nmo[1]), dtype=int)
177 orbspin[:,1::2] = 1
188 spin_r2_ip = eom_kccsd_ghf.enforce_2p_spin_ip_doublet(spin_r2_ip, kconserv, kshift, orbspin)
191 eom_kccsd_ghf.spin2spatial_ip_doublet(spin_r1_ip, spin_r2_ip, kconserv, kshift, orbspin)
194 kconserv, kshift, orbspin=orbspin)
207 orbspin = numpy.zeros((len(kpts),nmo[0]+nmo[1]), dtype=int)
208 orbspin[:,1::2] = 1
219 spin_r2_ea = eom_kccsd_ghf.enforce_2p_spin_ea_doublet(spin_r2_ea, kconserv, kshift, orbspin)
222 eom_kccsd_ghf.spin2spatial_ea_doublet(spin_r1_ea, spin_r2_ea, kconserv, kshift, orbspin)
225 kconserv, kshift, orbspin=orbspin)