add atom viewer

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mori 2017-06-11 17:43:13 +09:00
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commit 163be189de
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Atoms Viewer
============
BURAI platform can replace, delete, move, and add the atom.
This chapter explain these operations.
Project tab has the atoms viewer, which can edit atoms in the model.
It has the following operations.
Replace Atom
Rename Atom
------------
In case users replace the atom to other element,
The first step is selecting the atom which users want to replace.
Then, the menu appears with right click. users select “Rename selected atoms”
You can rename an atom to another atom.
The first step is selecting the atom with right click.
Then, you select “Rename selected atoms” from menu.
.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom01.png
:scale: 30 %
:align: center
The periodic table appears, and users select element that users want to replace.
:align: left
.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom02.png
:scale: 30 %
:align: center
users can replace the atom.
:align: left
.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom03.png
:scale: 30 %
:align: center
:align: left
|
Delete Atom
-----------
We introduce the operation of delete the atom.
The first step is selecting the atom which users want to delete.
Then, the menu appears. users select “Delete selected atoms”
You can delete an atom.
The first step is selecting the atom with right click.
Then, you select “Delete selected atoms” from menu.
.. image:: ../../../img/projects/imgCreateJob_DeleteAtom00.png
:scale: 30 %
:align: center
The confirmation screen appears.
:align: left
.. image:: ../../../img/projects/imgCreateJob_DeleteAtom01.png
:scale: 30 %
:align: center
users select “OK”, and users can delete the atom.
:align: left
.. image:: ../../../img/projects/imgCreateJob_DeleteAtom02.png
:scale: 30 %
:align: center
:align: left
|
Move Atom
---------
We explain the operation that users move the selected atom in the model.
The first step is selecting the atom that users want to move.
Then, the menu appears with right click. Users select “Move selected atoms”
You can move an atom.
The first step is selecting the atom with right click.
Then, you select “Move selected atoms” from menu.
.. image:: ../../../img/projects/imgCreateJob_MoveAtom00.png
:scale: 30 %
:align: center
The green plane surface appears on the model. The plane surface means the area that the selected atom can move.
:align: left
.. image:: ../../../img/projects/imgCreateJob_MoveAtom01.png
:scale: 30 %
:align: center
Users decide the area, and users move the atom.
:align: left
.. image:: ../../../img/projects/imgCreateJob_MoveAtom02.png
:scale: 30 %
:align: center
:align: left
.. image:: ../../../img/projects/imgCreateJob_MoveAtom03.png
:scale: 30 %
:align: center
:align: left
|
Add Atom
Put Atom
--------
We introduce the operation of put the atom.
The first step is clicking the area which users want to put the atom, then menu window appears with right click.
Users select “Put an atom”
You can put an atom.
The first step is selecting the atom with right click.
Then, you select Put an atom” from menu.
.. image:: ../../../img/projects/imgCreateJob_PutAtom00.png
:scale: 30 %
:align: center
The periodic table appears, and users select element which users want to add in the area.
:align: left
.. image:: ../../../img/projects/imgCreateJob_PutAtom01.png
:scale: 30 %
:align: center
After users select the element, users can put the atom.
:align: left
.. image:: ../../../img/projects/imgCreateJob_PutAtom02.png
:scale: 30 %
:align: center
:align: left

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Creating Project
================
Users select the calculation type in following menu to create a Quantum ESPRESSO project.
Clicking the 3D model in the explorer open a new tab.
The tab contains a QE project.
add zu
.. image:: ../../../img/input_editor/imgCreateJob_menu.png
:scale: 40 %
:align: center

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@ -8,13 +8,14 @@ if you want to search something at the internet, you should select "Web" from me
:scale: 30 %
:align: left
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Getting Crystal Structures
--------------------------
This chapter illustrate to get the crystal structure from some web site.
You search the crystal data from *build-in* web browser.
Opening the link of the crystal structure pops up the window with 3D model.
Clicking the model shows the new project tub.
Clicking the model shows the new project tab.
.. image:: ../../img/imgWeb_searchNaCl00.png
:scale: 30 %
@ -28,6 +29,7 @@ Clicking the model shows the new project tub.
:scale: 30 %
:align: left
|
Getting Pseudopotentials
------------------------