Merge pull request #11 from FAIRmat-NFDI/fix_titles

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FAIRmat-NFDI · Jul 9, 2024 · eb13147 · eb13147
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diff --git a/docs/custom_workflows.md b/docs/custom_workflows.md
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-# Part V: Interfacing complex simulation and analysis workflows with NOMAD.
+# Part 5 - Interfacing complex simulation and analysis workflows with NOMAD.
 
 The concept of workflow is essential in simulations and analysis of Materials Science and Chemistry data. In NOMAD, we give support to workflows and understand them as a way of organizing data to keep the full provenance of an activity (either experimental or computational). Workflows can be also parsed in NOMAD in two slightly different ways: in an automatic way or by defining a custom workflow additional file. The first case is done when the simulation input and output files contain enough information to recognize a certain workflow, and it is typically done in the parser plugin. You can read more on how to prepare your input/output files to make this automatic recognition easier in the [Extra: Standard workflows recognition](#standard-workflows-recognition) section at the end of this page.
 

diff --git a/docs/intro.md b/docs/intro.md
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-# Introduction to the NOMAD software and repository
+# Part 1 - Introduction to the NOMAD software and repository
 
 This section of the tutorial consists of a slide presentation: [Introduction Talk Slides](https://box.hu-berlin.de/f/6a12dd6c8db348918381/){:target="_blank"}
 

diff --git a/docs/nomad_simulations.md b/docs/nomad_simulations.md
@@ -1,4 +1,4 @@
-# Part II: Working with the NOMAD-Simulations schema plugin
+# Part 2 - Working with the NOMAD-Simulations schema plugin
 
 In NOMAD, all the simulation metadata is defined under the `Simulation` section. You can find its Python schema defined in the [`nomad-simulations`](https://github.com/nomad-coe/nomad-simulations/) repository. The [entry point](parser_plugins.md) for the schema is defined in [src/nomad_simulations/schema_packages/\_\_init\_\_.py](https://github.com/nomad-coe/nomad-simulations/blob/develop/src/nomad_simulations/schema_packages/__init__.py) module. This section will appear under the `data` section for each NOMAD [*entry*](https://nomad-lab.eu/prod/v1/staging/docs/reference/glossary.html#entry). There is also a [specialized documentation page](https://nomad-coe.github.io/nomad-simulations/) in the `nomad-simulations` repository.
 

diff --git a/docs/parser_plugins.md b/docs/parser_plugins.md
@@ -1,4 +1,4 @@
-# Creating Parser Plugins from Scratch
+# Part 3 - Creating Parser Plugins from Scratch
 
 One of NOMAD's most recognized features is drag-and-drop parsing.
 The NOMAD parsers, which automate the conversion of raw simulation files into the standardized NOMAD format, significantly offload the burden of data annotation from researchers, reducing their data management responsibilities while also improving the accessibility of their data.

diff --git a/docs/schema_plugins.md b/docs/schema_plugins.md
@@ -1,4 +1,4 @@
-# Extending NOMAD-Simulations to support custom methods and outputs
+# Part 4 - Extending NOMAD-Simulations to support custom methods and outputs
 
 As you develop your parser, you may find that the `nomad-simulations` package does not include some relevant quantities for your particular use case. You can easily extend upon the schema by adding your own custom schema under the `schema_packages/` directory in your parser plugin. For this, you should utilize and build upon `nomad-simulations` for consistency and future compatibility or integration. Below (click to zoom) is a decision tree which illustrates the schema development process: