mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-20 20:22:32 +02:00
| .. | ||
| create_ezfio_complex_3idx.py | ||
| create_ezfio_pyscf_mol.py | ||
| debug_mo_map.irp.f | ||
| dump_2e_from_map.irp.f | ||
| dump_ao_1e_cplx.irp.f | ||
| dump_ao_2e_cplx.irp.f | ||
| dump_ao_2e_from_df_all.irp.f | ||
| dump_ao_2e_from_df.irp.f | ||
| dump_df_ao.irp.f | ||
| dump_df_mo.irp.f | ||
| dump_kcon.irp.f | ||
| dump_mo_2e_cplx.irp.f | ||
| dump_mo_coef.irp.f | ||
| example_convert_pyscf_ezfio.sh | ||
| export_integrals_ao_cplx.irp.f | ||
| Gen_Ezfio_from_integral_complex_3idx.sh | ||
| Gen_Ezfio_from_pyscf_mol.sh | ||
| generate_pyscf_twists.py | ||
| import_ao_2e_cplx.irp.f | ||
| import_integrals_ao_cplx.irp.f | ||
| import_kconserv.irp.f | ||
| import_mo_coef_cplx.irp.f | ||
| MolPyscfToQPkpts.py | ||
| NEED | ||
| qp2-pbc-diff.txt | ||
| README.rst | ||
===== dummy ===== Module necessary to avoid the ``xxx is a root module but does not contain a main file`` message.