Fix sentence case issues

calculation_history.ipynb

@@ -50,22 +50,22 @@
     "            color: #2c3e50;\n",
     "        }\n",
     "    </style>\n",
-    "    <div class=\"page-title\">Calculation History</div>\n",
+    "    <div class=\"page-title\">Calculation history</div>\n",
     "    <div class=\"how-to-section\">\n",
-    "        <h2>How to Use This Page</h2>\n",
+    "        <h2>How to use this page</h2>\n",
     "        <p>\n",
-    "            This page allows you to view and manage your calculation history. Use the table below to \n",
+    "            This page allows you to view and manage your calculation history. Use the table below to\n",
     "            see all jobs in the database. You can use the following filters to narrow down your search:\n",
     "        </p>\n",
     "        <ul>\n",
-    "            <li><b>Label Search Field:</b> Enter a job label to find matching jobs.</li>\n",
-    "            <li><b>Job State Dropdown:</b> Filter jobs based on their state (e.g., finished, running).</li>\n",
-    "            <li><b>Date Range Picker:</b> Select a start and end date to view jobs created within that range.</li>\n",
-    "            <li><b>Properties Filter:</b> Select specific properties associated with jobs.</li>\n",
+    "            <li><b>Label search field:</b> Enter a job label to find matching jobs.</li>\n",
+    "            <li><b>Job state dropdown:</b> Filter jobs based on their state (e.g., finished, running).</li>\n",
+    "            <li><b>Date range picker:</b> Select a start and end date to view jobs created within that range.</li>\n",
+    "            <li><b>Properties filter:</b> Select specific properties associated with jobs.</li>\n",
     "        </ul>\n",
     "        <p>\n",
-    "            Each row in the table provides links to inspect, delete or download a job. To delete a job, click the \"Delete\" \n",
-    "            link in the respective row. To view detailed information about a job, click the \"PK\" link. To download the \n",
+    "            Each row in the table provides links to inspect, delete or download a job. To delete a job, click the \"Delete\"\n",
+    "            link in the respective row. To view detailed information about a job, click the \"PK\" link. To download the\n",
     "            input/output files of a job, click the \"Download\" link.\n",
     "        </p>\n",
     "    </div>\n",

delete.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "# AiiDAlab Quantum ESPRESSO App\n",
+    "# AiiDAlab Quantum ESPRESSO app\n",
     "\n",
     "<font color=\"red\"><b>Caution!</b></font> Deleting this job will also remove <b>all associated nodes</b>, including every calculation initiated by this job and their respective results. This action is <b>irreversible</b>.\n"
    ]
@@ -37,10 +37,10 @@
     "    try:\n",
     "        node = load_node(pk)\n",
     "        print(f\"Node ID: {node.pk}\")\n",
-    "        print(f\"Node Type: {node.process_label}\")\n",
+    "        print(f\"Node type: {node.process_label}\")\n",
     "        print(f\"Label: {node.label}\")\n",
     "        print(f\"Description: {node.description}\")\n",
-    "        print(f\"Creation Time: {node.ctime}\")\n",
+    "        print(f\"Creation time: {node.ctime}\")\n",
     "    except Exception as e:\n",
     "        print(f\"Error loading node: {e!s}\")\n",
     "        return False\n",
@@ -113,7 +113,7 @@
     "            description=\"Confirm:\",\n",
     "            disabled=False,\n",
     "        )\n",
-    "        confirm_button = widgets.Button(description=\"Delete Node\")\n",
+    "        confirm_button = widgets.Button(description=\"Delete node\")\n",
     "        confirm_button.on_click(confirm_deletion)\n",
     "        display(delete_confirmation, confirm_button)\n",
     "else:\n",

plugin_list.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "## AiiDAlab Quantum ESPRESSO Plugin manager\n",
+    "## AiiDAlab Quantum ESPRESSO plugin manager\n",
     "\n",
     "This page lets you manage the plugins of the AiiDAlab Quantum ESPRESSO app. You can find below all plugins available in the official [AiiDAlab Quantum ESPRESSO plugin registry](https://github.com/aiidalab/aiidalab-qe/blob/main/plugins.yaml) (click [here](https://aiidalab-qe.readthedocs.io/development/plugin_registry.html) to learn how to register a new plugin, if you are developing one). You can install and uninstall plugins from this page.\n",
     "\n",

src/aiidalab_qe/app/configuration/advanced/advanced.py

@@ -212,7 +212,10 @@ def render(self):
                     self.clean_workdir,
                     self.reset_to_defaults_button,
                 ],
-                layout=ipw.Layout(justify_content="space-between"),
+                layout=ipw.Layout(
+                    justify_content="space-between",
+                    margin="0 0 10px 0",
+                ),
             ),
             self.total_charge,
             self.van_der_waals,

src/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py

@@ -149,27 +149,15 @@ def render(self):
         )
 
         self.children = [
+            ipw.HTML("<h4 style='margin-bottom: 0;'>Accuracy and precision</h4>"),
             ipw.HTML("""
-                <div style="padding-top: 0px; padding-bottom: 10px">
-                    <h4>Accuracy and precision</h4>
+                <div class="pseudo-text">
+                    The exchange-correlation functional and pseudopotential
+                    library is set by the <b>protocol</b> configured in the
+                    "Workflow" tab. Here you can override the defaults if
+                    desired.
                 </div>
             """),
-            ipw.HBox(
-                children=[
-                    ipw.HTML(
-                        """
-                        <div class="pseudo-text">
-                            The exchange-correlation functional and pseudopotential
-                            library is set by the <b>protocol</b> configured in the
-                            "Workflow" tab. Here you can override the defaults if
-                            desired.
-                        </div>
-                        """,
-                        layout=ipw.Layout(max_width="60%"),
-                    ),
-                ],
-                layout=ipw.Layout(height="50px", justify_content="space-between"),
-            ),
             ipw.HBox(
                 [
                     ipw.VBox(

src/aiidalab_qe/app/configuration/basic/basic.py

@@ -107,7 +107,7 @@ def render(self):
             ipw.HBox(
                 children=[
                     ipw.Label(
-                        "Electronic Type:",
+                        "Electronic type:",
                         layout=ipw.Layout(justify_content="flex-start", width="120px"),
                     ),
                     self.electronic_type,

src/aiidalab_qe/app/configuration/basic/model.py

@@ -18,11 +18,11 @@ class BasicConfigurationSettingsModel(ConfigurationSettingsModel):
     input_structure = tl.Union([tl.Instance(orm.StructureData)], allow_none=True)
 
     protocol_options = tl.List(
-        trait=tl.Unicode(),
+        trait=tl.Tuple(tl.Unicode(), tl.Unicode()),
         default_value=[
-            "fast",
-            "moderate",
-            "precise",
+            ("Fast", "fast"),
+            ("Moderate", "moderate"),
+            ("Precise", "precise"),
         ],
     )
     protocol = tl.Unicode(DEFAULT["workchain"]["protocol"])

src/aiidalab_qe/app/utils/search_jobs.py

@@ -125,7 +125,7 @@ def setup_widgets(self):
             children=property_checkboxes, description="Properties:"
         )
         self.properties_filter_description = ipw.HTML(
-            "<p><b>Properties Filter:</b> Select one or more properties to narrow the results. Only calculations that include all the selected properties will be displayed. Leave all checkboxes unselected to include calculations regardless of their properties.</p>"
+            "<p><b>Properties filter:</b> Select one or more properties to narrow the results. Only calculations that include all the selected properties will be displayed. Leave all checkboxes unselected to include calculations regardless of their properties.</p>"
         )
         # Replace 'None' in 'Properties' with an empty list
         self.df["Properties"] = self.df["Properties"].apply(
@@ -140,7 +140,7 @@ def setup_widgets(self):
                 "Killed": "killed",
             },
             value="",  # Default value corresponding to "Any"
-            description="Job State:",
+            description="Job state:",
         )
         self.label_search_field = ipw.Text(
             value="",
@@ -150,11 +150,11 @@ def setup_widgets(self):
             style={"description_width": "initial"},
         )
         self.label_search_description = ipw.HTML(
-            "<p><b>Search Label:</b> Enter a keyword to search in both the <i>Label</i> and <i>Description</i> fields. Matches will include any calculations where the keyword is found in either field.</p>"
+            "<p><b>Search label:</b> Enter a keyword to search in both the <i>Label</i> and <i>Description</i> fields. Matches will include any calculations where the keyword is found in either field.</p>"
         )
         self.toggle_description_checkbox = ipw.Checkbox(
             value=False,  # Show the Description column by default
-            description="Show Description",
+            description="Show description",
             indent=False,
         )
         self.toggle_description_checkbox.observe(
@@ -163,18 +163,18 @@ def setup_widgets(self):
         self.toggle_time_format = ipw.ToggleButtons(
             options=["Absolute", "Relative"],
             value="Absolute",  # Default to Absolute time
-            description="Time Format:",
+            description="Time format:",
         )
         self.toggle_time_format.observe(self.update_table_visibility, names="value")
         self.toggle_id_format = ipw.ToggleButtons(
             options=["PK", "UUID"],
             value="PK",  # Default to PK
-            description="ID Format:",
+            description="ID format:",
         )
         self.toggle_id_format.observe(self.update_table_visibility, names="value")
 
-        self.time_start = ipw.DatePicker(description="Start Time:")
-        self.time_end = ipw.DatePicker(description="End Time:")
+        self.time_start = ipw.DatePicker(description="Start time:")
+        self.time_end = ipw.DatePicker(description="End time:")
         self.time_box = ipw.HBox([self.time_start, self.time_end])
         # self.apply_filters_btn = ipw.Button(description='Apply Filters')
         # self.apply_filters_btn.on_click(self.apply_filters)
@@ -187,7 +187,7 @@ def setup_widgets(self):
 
         self.filters_layout = ipw.VBox(
             [
-                ipw.HTML("<h3>Search & Filter Calculations:</h3>"),
+                ipw.HTML("<h3>Search & filter calculations:</h3>"),
                 ipw.VBox(
                     [
                         self.job_state_dropdown,
@@ -204,7 +204,7 @@ def setup_widgets(self):
                         #   self.apply_filters_btn,
                     ]
                 ),
-                ipw.HTML("<h3>Display Options:</h3>"),
+                ipw.HTML("<h3>Display options:</h3>"),
                 ipw.VBox(
                     [
                         self.toggle_description_checkbox,
@@ -251,8 +251,9 @@ def get_table_value(self, display_df):
         display_df.rename(
             columns={
                 "State": "State 🟢",
-                "Creation time": "Creation Time ⏰",
+                "Creation time": "Creation time ⏰",
                 "ID": "ID 🔗",
+                "Relax_type": "Relax type",
             },
             inplace=True,
         )

src/aiidalab_qe/common/bands_pdos/bandpdoswidget.py

@@ -113,7 +113,7 @@ def render(self):
         self.update_plot_button.on_click(self._update_pdos_plot)
 
         self.download_button = ipw.Button(
-            description="Download Data",
+            description="Download data",
             icon="download",
             button_style="primary",
             layout=ipw.Layout(visibility="hidden"),

src/aiidalab_qe/plugins/bands/setting.py

@@ -15,6 +15,7 @@ def render(self):
             return
 
         self.projwfc_bands = ipw.Checkbox(
+            indent=False,
             description="Fat bands calculation",
             style={"description_width": "initial"},
         )
@@ -26,21 +27,22 @@ def render(self):
         self.children = [
             InAppGuide(identifier="bands-settings"),
             ipw.HTML("""
-                <div style="padding-top: 0px; padding-bottom: 0px">
-                    <h4>Settings</h4>
-                </div>
-            """),
-            ipw.HTML("""
-                <div style="line-height: 140%; padding-top: 10px; padding-bottom: 0px">
-                    The band structure workflow will automatically detect the default
-                    path in reciprocal space using the
-                    <a href="https://www.materialscloud.org/work/tools/seekpath" target="_blank">SeeK-path tool</a>.
-                    <br><br>
-                    Fat Bands is a band structure plot that includes the angular
-                    momentum contributions from specific atoms or orbitals to each
-                    energy band. The thickness of the bands represents the strength
-                    of these contributions, providing insight into the electronic
-                    structure.
+                <div style="line-height: 140%;">
+                    <p style="margin-bottom: 10px;">
+                        The band structure workflow will automatically detect the
+                        default path in reciprocal space using the
+                        <a
+                            href="https://www.materialscloud.org/work/tools/seekpath"
+                            target="_blank"
+                        >SeeK-path tool</a>.
+                    </p>
+                    <p>
+                        Fat Bands is a band structure plot that includes the angular
+                        momentum contributions from specific atoms or orbitals to each
+                        energy band. The thickness of the bands represents the strength
+                        of these contributions, providing insight into the electronic
+                        structure.
+                    </p>
                 </div>
             """),
             self.projwfc_bands,

src/aiidalab_qe/plugins/pdos/setting.py

@@ -56,6 +56,7 @@ def render(self):
         )
 
         self.use_pdos_degauss = ipw.Checkbox(
+            indent=False,
             description="Use custom PDOS degauss",
             style={"description_width": "initial"},
         )
@@ -107,21 +108,19 @@ def render(self):
         self.children = [
             InAppGuide(identifier="pdos-settings"),
             ipw.HTML("""
-                <div style="padding-top: 0px; padding-bottom: 0px">
-                    <h4>Settings</h4>
-                </div>
-            """),
-            ipw.HTML("""
-                <div style="line-height: 140%; padding-top: 0px; padding-bottom: 5px">
-                    By default, the <b>tetrahedron method</b> is used for partial density of states (PDOS) calculation.
-                    However, if you need more control over the broadening, you can apply <b>Gaussian broadening</b>
-                    by specifying a custom <b>degauss</b> value.
-                    <br>
-                    <b>Recommendation for Molecules and Localized Orbitals:</b>
-                    <br>
-                    For systems involving molecules or localized orbitals, it is recommended to use a
-                    <b>custom degauss value</b>. This will provide a more accurate representation of the PDOS,
-                    especially when the electronic states are localized.
+                <div style="line-height: 140%; margin-bottom: 10px;">
+                    <p style="margin-bottom: 10px;">
+                        By default, the <b>tetrahedron method</b> is used for partial
+                        density of states (PDOS) calculation. However, if you need more
+                        control over the broadening, you can apply <b>Gaussian broadening</b>
+                        by specifying a custom <b>degauss</b> value.
+                    </p>
+                    <p>
+                        For systems involving <b>molecules</b> or <b>localized orbitals</b>,
+                        it is recommended to use a <b>custom degauss value</b>. This
+                        will provide a more accurate representation of the PDOS,
+                        especially when the electronic states are localized.
+                    </p>
                 </div>
             """),
             ipw.HBox(