From 3febf4c9edc76cbc67258823b62dcdbab471e78e Mon Sep 17 00:00:00 2001 From: Jonathan Chico <37243453+JPchico@users.noreply.github.com> Date: Tue, 28 Nov 2023 12:30:43 +0100 Subject: [PATCH] Update docs/source/topics/workflows/base.md Co-authored-by: Sebastiaan Huber --- docs/source/topics/workflows/base.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/topics/workflows/base.md b/docs/source/topics/workflows/base.md index 5998bcf..5776cde 100644 --- a/docs/source/topics/workflows/base.md +++ b/docs/source/topics/workflows/base.md @@ -12,7 +12,7 @@ The inputs for the {class}`~aiida_lammps.workflows.base.LammpsBaseWorkChain` are - **lammps.structure**, ({class}`~aiida.orm.nodes.data.structure.StructureData`) - Structure used in the ``LAMMPS`` calculation. - **lammps.potential**, ({class}`~aiida_lammps.data.potential.LammpsPotentialData`) - Potential used in the ``LAMMPS`` calculation. See [](#topics-data-potential). - **lammps.parameters**, ({class}`~aiida.orm.nodes.data.dict.Dict`) - Parameters that control the input script generated for the ``LAMMPS`` calculation. See [](#topics-data-parameters). -- **lammps.settings**, ({class}`~aiida.orm.nodes.data.dict.Dict`), *optional* - Additional settings that control the ``LAMMPS`` calculation. One can control if extra filess will be copied to the repository by specifying `settings["additional_retrieve_list"] = ["foo", "bar"]`. It is also possible to do pattern matching via [globs patterns](https://en.wikipedia.org/wiki/Glob_%28programming%29) by `settings["additional_retrieve_list"] = [('path/sub/*c.txt', '.', None)]`, for more information see the [pattern matching](https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/calculations/usage.html#pattern-matching) in the `aiida-core` documentation. +- **lammps.settings**, ({class}`~aiida.orm.nodes.data.dict.Dict`), *optional* - Additional settings that control the ``LAMMPS`` calculation. One can control if extra files will be copied to the repository by specifying `settings["additional_retrieve_list"] = ["foo", "bar"]`. It is also possible to do pattern matching via [globs patterns](https://en.wikipedia.org/wiki/Glob_%28programming%29) by `settings["additional_retrieve_list"] = [('path/sub/*c.txt', '.', None)]`, for more information see the [pattern matching](https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/calculations/usage.html#pattern-matching) in the `aiida-core` documentation. - **lammps.input_restartfile** ({class}`~aiida.orm.nodes.data.singlefile.SinglefileData`), *optional* - Input restart file to continue from a previous ``LAMMPS`` calculation. - **lammps.parent_folder**, ({class}`~aiida.orm.nodes.data.remote.base.RemoteData`), *optional* - An optional working directory of a previously completed calculation to restart from. - **store_restart**, ({class}`~aiida.orm.nodes.data.bool.Bool`), *optional* - Whether to store the restart file in the repository. Defaults to `False`.