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| .. | ||
| NEED | ||
| README.rst | ||
| c_i_a_v_mos.irp.f | ||
| cas_based_density.irp.f | ||
| cas_based_on_top.irp.f | ||
| cas_dens_prov.irp.f | ||
| cas_dens_rout.irp.f | ||
| cas_one_e_rdm.irp.f | ||
| eff_spin_dens.irp.f | ||
| example.irp.f | ||
| on_top_cas_prov.irp.f | ||
| on_top_cas_rout.irp.f | ||
| on_top_grad.irp.f | ||
| two_body_dens_rout.irp.f | ||
README.rst
============== on_top_density ============== This plugin proposes different routines/providers to compute the on-top pair density of a CAS-based wave function. This means that all determinants in psi_det must belong to an active-space. As usual, see the file "example.irp.f" to get introduced to the main providers/routines.