mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 11:03:29 +01:00
| .. | ||
| 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 | ||
| NEED | ||
| on_top_cas_prov.irp.f | ||
| on_top_cas_rout.irp.f | ||
| on_top_grad.irp.f | ||
| README.rst | ||
| two_body_dens_rout.irp.f | ||
============== 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.