mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
| .. | ||
| loc_cele.irp.f | ||
| loc_exchange_int_act.irp.f | ||
| loc_exchange_int_inact.irp.f | ||
| loc_exchange_int_virt.irp.f | ||
| loc_exchange_int.irp.f | ||
| loc.f | ||
| NEEDED_CHILDREN_MODULES | ||
| README.rst | ||
| tree_dependency.png | ||
Documentation ============= .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. `loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/src/loc_cele/loc_cele.irp.f#L1>`_ This program performs a localization of the active orbitals of a CASSCF wavefunction, reading the orbitals from a RASORB file of molcas. id1=max is the number of MO in a given symmetry. Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. .. image:: tree_dependency.png * `MO_Basis <http://github.com/LCPQ/quantum_package/tree/master/src/MO_Basis>`_ Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `MO_Basis <http://github.com/LCPQ/quantum_package/tree/master/src/MO_Basis>`_ Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script. `loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/plugins/loc_cele/loc_cele.irp.f#L1>`_ This program performs a localization of the active orbitals of a CASSCF wavefunction, reading the orbitals from a RASORB file of molcas. id1=max is the number of MO in a given symmetry.