Improved plots quality

Added Bernadette email

docs/contact.md

@@ -4,15 +4,16 @@ NOMAD is an open source project that warmly welcomes community projects, contrib
 
 You can reach us by different channels. You can send as directly an email to the main contributors list:
 
-| Name | E-mail     | Topics |
-|------|------------|--------|
-| Dr. Nathan Daelman | [[email protected]](mailto:[email protected]) | DFT |
-| Dr. José M. Pizarro | [[email protected]](mailto:[email protected]) | GW, DMFT, BSE |
-| Dr. Joseph F. Rudzinski (**Coordinator**) | [[email protected]](mailto:[email protected]) | MD, FF |
+| Name | E-mail     | Topics | Github profiles |
+|------|------------|--------|-----------------|
+| Dr. Nathan Daelman | [[email protected]](mailto:[email protected]) | DFT | [@ndaelman-hu](https://github.com/ndaelman-hu) |
+| Dr. Bernadette Mohr | [[email protected]](mailto:[email protected]) | MD, FF | [@Bernadette-Mohr](https://github.com/Bernadette-Mohr) |
+| Dr. José M. Pizarro | [[email protected]](mailto:[email protected]) | GW, DMFT, BSE | [@JosePizarro3](https://github.com/JosePizarro3) |
+| Dr. Joseph F. Rudzinski (**Coordinator**) | [[email protected]](mailto:[email protected]) | MD, FF | [@JFRudzinski](https://github.com/JFRudzinski) |
 
 
 Alternatively, you can also:
 
-- Open an [**issue**](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data/issues) in the [Github project](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data/). Our Github profile tags are [@ndaelman-hu](https://github.com/ndaelman-hu), [@JosePizarro3](https://github.com/JosePizarro3), and [@JFRudzinski](https://github.com/JFRudzinski).
+- Open an [**issue**](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data/issues) in the [Github project](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data/).
 - Send an email to [[email protected]](mailto:[email protected]). Please, add in the subject "ATTN - Area C: Simulation schema".
 - If you are included as a contributor in the Github project, you can open new [**discussions**](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data/discussions) regarding a new data schema or modelling you want to see covered.

docs/general.md

@@ -8,7 +8,7 @@ In NOMAD, a set of [base sections](https://nomad-lab.eu/prod/v1/staging/docs/how
 <div class="click-zoom">
     <label>
         <input type="checkbox">
-        <img src="../assets/simulation_base.drawio.png" alt="Simulation base section diagram." width="80%" title="Click to zoom in">
+        <img src="../assets/simulation_base.png" alt="Simulation base section diagram." width="80%" title="Click to zoom in">
     </label>
 </div>
 
@@ -17,7 +17,7 @@ In fact, `Simulation` inherits from a further abstract concept, `BaseSimulation`
 <div class="click-zoom">
     <label>
         <input type="checkbox">
-        <img src="../assets/simulation.drawio.png" alt="Simulation quantities and functions UML diagram." width="50%" title="Click to zoom in">
+        <img src="../assets/simulation.png" alt="Simulation quantities and functions UML diagram." width="50%" title="Click to zoom in">
     </label>
 </div>
 
@@ -51,7 +51,7 @@ The `Program` base class section contains all the information about the program
 <div class="click-zoom">
     <label>
         <input type="checkbox">
-        <img src="../assets/program.drawio.png" alt="Program quantities and functions UML diagram." width="75%" title="Click to zoom in">
+        <img src="../assets/program.png" alt="Program quantities and functions UML diagram." width="75%" title="Click to zoom in">
     </label>
 </div>
 
@@ -64,14 +64,14 @@ For example, imagine we have a file, `output_file.txt`, which we want to parse a
 ...
 ```
 
-Then, we can parse the program `name` and `version` by matching the texts:
+Then, we can parse the program `name` and `version` by matching the texts (see, e.g., [Wikipedia page for Regular expressions, also called _regex_](https://en.wikipedia.org/wiki/Regular_expression)):
 
 ```python
-from nomad.parsing.file_parser import TextParser
+from nomad.parsing.file_parser import TextParser, Quantity
 from nomad_simulations import Simulation, Program
 
 
-class MyProgramParser:
+class SUPERCODEParser:
     """
     Class responsible to populate the NOMAD `archive` from the files given by a
     SUPERCODE simulation.
@@ -80,14 +80,14 @@ class MyProgramParser:
     def parse(self, filepath, archive, logger):
         output_parser = TextParser(
             quantities=[
-
+                Quantity('program_version', r'version *([\d\.]+) *', repeats=False)
             ]
         )
         output_parser.mainfile = filepath
 
         simulation = Simulation()
         simulation.program = Program(
-            name=output_parser.get('program_name'),
+            name='SUPERCODE',
             version=output_parser.get('program_version'),
         )
 ```

docs/index.md

@@ -16,6 +16,6 @@ When designing the sections, we follow [SOLID principles](https://www.geeksforge
 
     Dr. Nathan Daelman, [[email protected]](mailto:[email protected])
 
-    Dr. Bernadette Mohr, _missing institutional e-mail_
+    Dr. Bernadette Mohr, [[email protected]](mailto:[email protected])
 
     Dr. Joseph F. Rudzinski, [[email protected]](mailto:[email protected])

docs/model_method/model_method.md

@@ -1 +1,4 @@
-# `ModelMethod`
+# `ModelMethod`
+
+!!! warning
+    This page is still under construction.

docs/model_system/model_system.md

@@ -1 +1,4 @@
-# `ModelSystem`
+# `ModelSystem`
+
+!!! warning
+    This page is still under construction.

docs/outputs/outputs.md

@@ -1 +1,4 @@
-# `Outputs`
+# `Outputs`
+
+!!! warning
+    This page is still under construction.

pyproject.toml

@@ -13,6 +13,7 @@ readme = "README.md"
 authors = [
     { name = "Jose M. Pizarro", email = "[email protected]" },
     { name = "Nathan Daelman", email = "[email protected]" },
+    { name = "Bernadette Mohr", email = "[email protected]" },
     { name = "Joseph F. Rudzinski", email = "[email protected]" }
 ]
 license = { text = "Apache-2.0" }