diff --git a/docs/source/topics/calculations/base.md b/docs/source/topics/calculations/base.md index 949ade3..3c9a849 100644 --- a/docs/source/topics/calculations/base.md +++ b/docs/source/topics/calculations/base.md @@ -7,7 +7,7 @@ The {class}`~aiida_lammps.calculations.base.LammpsBaseCalculation` performs a si - **structure**, ({class}`~aiida.orm.nodes.data.structure.StructureData`) - Structure used in the ``LAMMPS`` calculation. - **potential**, ({class}`~aiida_lammps.data.potential.LammpsPotentialData`) - Potential used in the ``LAMMPS`` calculation. See [](#topics-data-potential). - **parameters**, ({class}`~aiida.orm.nodes.data.dict.Dict`) - Parameters that control the input script generated for the ``LAMMPS`` calculation. See [](#topics-data-parameters). -- **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. +- **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. - **input_restartfile** ({class}`~aiida.orm.nodes.data.singlefile.SinglefileData`), *optional* - Input restart file to continue from a previous ``LAMMPS`` calculation. - **parent_folder**, ({class}`~aiida.orm.nodes.data.remote.base.RemoteData`), *optional* - An optional working directory of a previously completed calculation to restart from. - **metadata.options.input_filename**, (`str`), *optional* - Name of the input file for the calculation. Defaults to `input.in`.