Wave_Function_Propagation
Contents:
WaveFunctionPropagation
Stage_1 module
Stage_2 module
Locpot_class module
Help_function_library_yair module
Structure_vis module
savitzky_golay module
Wave_Function_Propagation
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WaveFunctionPropagation
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Structure_vis module
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Structure_vis module
¶
class
Structure_vis.
structure_visualiztion
(
structure
=
None
,
structure_file_name
=
None
,
structure_file_directory
=
None
,
D3_plot
=
True
,
label
=
False
)
[source]
¶
Bases:
object
set_relative_radii
(
)
[source]
¶
set_atomic_symbol
(
)
[source]
¶
set_label
(
flag
)
[source]
¶
visualize
(
)
[source]
¶
set_boundaries
(
bounds
=
([0,
1],
[0,
1],
[0,
1])
)
[source]
¶
color_atom
(
atom
)
[source]
¶
choose_atoms_by_coordinates
(
coordinates
)
[source]
¶
choose_atoms_by_index
(
indice
)
[source]
¶
Structure_vis.
find_element_in_matrix
(
element
,
matrix
)
[source]
¶