Tutorial guidelines

Steps in GUI tutorials

For steps in tutorials use the rst-class:: steps.

Example:

.. rst-class:: steps

    | Optionally some context here
    | **1.** The first step, e.g. click on **Edit → Builder**
    | **2.** The second step.

Result:

Optionally some context here
1. The first step, e.g. click on Edit → Builder
2. The second step

GUI icons

In the Tutorials, you can refer to some GUI buttons/icons by using the following substitutions (these substitutions are defined in global_conf.py, but that you have to initialize it in the conf.py of your specific project. See the Tutorials/conf.py).

Icon

Substitution

Name

InfoBtn

|InfoBtn|

More-info button

MoreBtn

|MoreBtn|

Details

SCMMenu

|SCMMenu|

SCM menu

Search

|Search|

Search box

PointerTool

|PointerTool|

Pointer tool

CTool

|CTool|

Carbon tool

OTool

|OTool|

Oxygen tool

HTool

|HTool|

Hydrogen tool

XTool

|XTool|

Element tool

StructTool

|StructTool|

Structure tool

CrystalTool

|CrystalTool|

Periodic structure tool

SymmTool

|SymmTool|

Symmetrize tool

BondTool

|BondTool|

Bond tool

PeriodicViewTool

|PeriodicViewTool|

Periodic display

SliceTool

|SliceTool|

Slice tool

PreOptimTool

|PreOptimTool|

Pre-optimizer button

ADFPanel

|ADFPanel|

ADF panel

ADFviaAMSPanel

|ADFviaAMSPanel|

ADF via AMS panel

BANDPanel

|BANDPanel|

BAND panel

ConformersPanel

|ConformersPanel|

Conformers panel

DFTBPanel

|DFTBPanel|

DFTB panel

MMPanel

|MMPanel|

MM panel

MopacPanel

|MopacPanel|

Mopac panel

QMMMPanel

|QMMMPanel|

QMMM panel

QuantumESPRESSOPanel

|QuantumESPRESSOPanel|

Quantum ESPRESSO panel

QuildPanel

|QuildPanel|

Quild panel

ReaxFFPanel

|ReaxFFPanel|

ReaxFF panel

ForceFieldPanel

|ForceFieldPanel|

ForceField panel

VASPPanel

|VASPPanel|

VASP panel

AddButton

|AddButton|

Add button

DeleteButton

|DeleteButton|

Delete button

Example:

.. rst-class:: steps

    | In **ADFInput**
    | **1.** Switch to the **BAND panel**: |ADFPanel| **→** |BANDPanel|
    | **2.** In the **search box** |Search| search for ``Diamond`` and select **Crystal → C**

Result:

In ADFInput
1. Switch to the BAND panel: ADFPanel BANDPanel
2. In the search box Search search for Diamond and select Crystal → C

Conventions for step descriptions

How to phrase common tasks:

Switch to BAND by clicking on ADFPanel BANDPanel
In the search box Search search for Diamond and select Crystal → C
In the panel bar, select Properties → Excitations (UV/Vis), CD
In the menu bar, select View → Reset View
Select Task → Geometry Optimization
In Total charge enter -1
Check/Uncheck the Unrestricted checkbox
Select the Carbon tool CTool and click in the molecule drawing area

PLAMS Tutorials

The preferred way to create new tutorials for PLAMS is through jupyter notebooks. These are located in the $AMSHOME/scripting/scm/plams/examples directory.

From these notebooks, documentation pages can be generated by running a script generate_example.sh, located in the examples directory. This will create .rst files which can be included in the PLAMS Examples.

For full instructions on how to do this, see $AMSHOME/scripting/scm/plams/examples/README.md.