ORCA Engine

ConfigLoader

## OrcaInputRenderer

```{eval-rst}
.. autoclass:: pychum.engine.orca.OrcaInputRenderer
   :members:
   :undoc-members:
   :show-inheritance:

   Example usage:

   ```python
   from pychum.engine.orca import OrcaInputRenderer

   renderer = OrcaInputRenderer(config)
   orca_input = renderer.render("base.jinja")

## Data Classes

### OrcaConfig

```{eval-rst}
.. autoclass:: pychum.engine.orca.OrcaConfig
   :members:
   :undoc-members:

NebBlock

GeomBlock

Example TOML Configuration

[orca]
functional = "PBE0"
basis = "def2-SVP"

[coords]
charge = 0
multiplicity = 1
fmt = "xyz"

[[coords.atoms]]
symbol = "O"
x = 0.0
y = 0.0
z = 0.0

[[coords.atoms]]
symbol = "H"
x = 0.757
y = 0.586
z = 0.0

[[coords.atoms]]
symbol = "H"
x = -0.757
y = 0.586
z = 0.0

[scf]
max_iter = 100