ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki
ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki
ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki
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<strong>ASE</strong> <strong>Manual</strong>, <strong>Release</strong> 3.6.1.2828<br />
To change the color scheme of graphs it is necessary to change the default behaviour of Matplotlib in a similar<br />
way by using a file ~/.matplotlib/matplotlibrc.<br />
patch.edgecolor : white<br />
text.color : white<br />
axes.facecolor : black<br />
axes.edgecolor : white<br />
axes.labelcolor : white<br />
axes.color_cycle : b, g, r, c, m, y, w<br />
xtick.color : white<br />
ytick.color : white<br />
grid.color : white<br />
figure.facecolor : 0.1<br />
figure.edgecolor : black<br />
Finally, the color scheme of the windows themselves (i.e. menus, buttons and text etc.) can be changed by<br />
choosing a different desktop theme. In Ubuntu it is possible to get white on a dark background by selecting the<br />
theme HighContrastInverse under Appearances in the system settings dialog.<br />
7.7.2 Edit<br />
Add atoms<br />
Allows to add single atoms or a group of atoms to an existing atoms object. If the description is an atom or a<br />
known molecule from the g1, g2, or g3 set (e.g. CH4), then the structure from the data molecule is used. In<br />
addition, a molecule can also be imported from file via the load molecule button.<br />
The specified position can either be absolute, or determined automatically via<br />
auto+<br />
where auto is the centre of mass of the currently selected atoms, and is the distance toward the viewing<br />
plane.<br />
The molecule-to-be is rotated into the current viewing plane before addition into the system. Two options exist for<br />
chosing the origin within the new atoms, it can be either the centre of mass or the origin of the loaded geometry.<br />
Modify<br />
Menu to allow modification of the atomic symbol, an attached tag, or its magnetic moment.<br />
Copy/Paste<br />
Allows to copy parts of an existing system to a clipboard, and pastes via the same infrastructure as the Add<br />
atoms functionality. Note that the on-screen orientation of the pasted atoms will be the same as at the time of<br />
copying. Note also that, by default, the origin of the pasted system is taken to be the atom furthest away from the<br />
viewing point.<br />
7.7.3 View<br />
Repeat<br />
Menu to allow repition of periodic unit cells. Use the ‘Set unit cell’ button to set the overall unit cell to the current<br />
one.<br />
7.7. <strong>ASE</strong>-GUI 75
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