Skip to content

Commit

Permalink
Add documentation about get_builder_from_protocol
Browse files Browse the repository at this point in the history
This commit adds some general remarks about the `get_builder_from_protocol` methods in the `How to - Workflows` section.
  • Loading branch information
t-reents committed May 16, 2024
1 parent a139465 commit 300e4cc
Showing 1 changed file with 20 additions and 0 deletions.
20 changes: 20 additions & 0 deletions docs/source/howto/workflows/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,26 @@

# Workflows

## Default parameters

The AiiDA Quantum ESPRESSO plugin comes with a set of tested protocols. These protocols define default input parameters for different levels of precision. This concept enables the initialization of a pre-populated `builder` for most of the different `WorkChain`s, which can be obtained by calling the `get_builder_from_protocol` method.

The following example shows the working principle for the `PwBaseWorkChain`:

```
# code and structure are the mandatory input arguments
builder = PwBaseWorkChain.get_builder_from_protocol(
code=pw_code, # load your pw-code
structure=structure, # provide your input structure here
)
```
We refer to the documentation of the {{ get_builder_from_protocol }} method for further details about additional default input arguments.




```{toctree}
:maxdepth: 1
Expand Down

0 comments on commit 300e4cc

Please sign in to comment.