mirror of https://github.com/BURAI-team/burai.git
add atom viewer
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Atoms Viewer
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============
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BURAI platform can replace, delete, move, and add the atom.
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This chapter explain these operations.
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Project tab has the atoms viewer, which can edit atoms in the model.
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It has the following operations.
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Replace Atom
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Rename Atom
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------------
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In case users replace the atom to other element,
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The first step is selecting the atom which users want to replace.
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Then, the menu appears with right click. users select “Rename selected atoms”
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You can rename an atom to another atom.
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The first step is selecting the atom with right click.
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Then, you select “Rename selected atoms” from menu.
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.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom01.png
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:scale: 30 %
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:align: center
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The periodic table appears, and users select element that users want to replace.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom02.png
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:scale: 30 %
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:align: center
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users can replace the atom.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_ReplaceAtom03.png
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:scale: 30 %
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:align: center
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:align: left
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Delete Atom
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-----------
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We introduce the operation of delete the atom.
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The first step is selecting the atom which users want to delete.
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Then, the menu appears. users select “Delete selected atoms”
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You can delete an atom.
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The first step is selecting the atom with right click.
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Then, you select “Delete selected atoms” from menu.
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.. image:: ../../../img/projects/imgCreateJob_DeleteAtom00.png
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:scale: 30 %
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:align: center
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The confirmation screen appears.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_DeleteAtom01.png
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:scale: 30 %
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:align: center
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users select “OK”, and users can delete the atom.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_DeleteAtom02.png
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:scale: 30 %
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:align: center
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:align: left
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Move Atom
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---------
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We explain the operation that users move the selected atom in the model.
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The first step is selecting the atom that users want to move.
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Then, the menu appears with right click. Users select “Move selected atoms”
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You can move an atom.
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The first step is selecting the atom with right click.
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Then, you select “Move selected atoms” from menu.
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.. image:: ../../../img/projects/imgCreateJob_MoveAtom00.png
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:scale: 30 %
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:align: center
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The green plane surface appears on the model. The plane surface means the area that the selected atom can move.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_MoveAtom01.png
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:scale: 30 %
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:align: center
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Users decide the area, and users move the atom.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_MoveAtom02.png
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:scale: 30 %
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:align: center
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_MoveAtom03.png
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:scale: 30 %
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:align: center
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:align: left
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Add Atom
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Put Atom
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--------
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We introduce the operation of put the atom.
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The first step is clicking the area which users want to put the atom, then menu window appears with right click.
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Users select “Put an atom”
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You can put an atom.
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The first step is selecting the atom with right click.
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Then, you select Put an atom” from menu.
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.. image:: ../../../img/projects/imgCreateJob_PutAtom00.png
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:scale: 30 %
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:align: center
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The periodic table appears, and users select element which users want to add in the area.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_PutAtom01.png
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:scale: 30 %
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:align: center
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After users select the element, users can put the atom.
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:align: left
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.. image:: ../../../img/projects/imgCreateJob_PutAtom02.png
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:scale: 30 %
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:align: center
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:align: left
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@ -1,9 +1,8 @@
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Creating Project
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================
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Users select the calculation type in following menu to create a Quantum ESPRESSO project.
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Clicking the 3D model in the explorer open a new tab.
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The tab contains a QE project.
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add zu
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.. image:: ../../../img/input_editor/imgCreateJob_menu.png
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:scale: 40 %
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: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
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:scale: 30 %
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:align: left
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Getting Crystal Structures
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--------------------------
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This chapter illustrate to get the crystal structure from some web site.
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You search the crystal data from *build-in* web browser.
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Opening the link of the crystal structure pops up the window with 3D model.
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Clicking the model shows the new project tub.
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Clicking the model shows the new project tab.
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.. image:: ../../img/imgWeb_searchNaCl00.png
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:scale: 30 %
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@ -28,6 +29,7 @@ Clicking the model shows the new project tub.
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:scale: 30 %
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:align: left
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Getting Pseudopotentials
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------------------------
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