vasppy
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Examples
Calculating radial distribution functions
API
API documentation
Submodules
vasppy.atom module
vasppy.calculation module
vasppy.cell module
vasppy.configuration module
vasppy.doscar module
vasppy.grid module
Grid
interpolate()
trilinear_interpolation()
vasppy.kpoints module
vasppy.optics module
vasppy.outcar module
vasppy.pimaim module
vasppy.polyhedron module
vasppy.poscar module
vasppy.procar module
vasppy.rdf module
vasppy.summary module
vasppy.vaspmeta module
vasppy.data package
vasppy.xdatcar module
vasppy
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vasppy.grid module
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vasppy.grid module
¶
class
Grid
(
dimensions
=
(1,
1,
1)
)
[source]
¶
Bases:
object
average
(
normal_axis_label
)
[source]
¶
by_index
(
index
)
[source]
¶
cartesian_coordinate_at_index
(
index
)
[source]
¶
cube_slice
(
x0
,
y0
,
z0
)
[source]
¶
fractional_coordinate_at_index
(
index
)
[source]
¶
interpolate_to_orthorhombic_grid
(
dimensions
)
[source]
¶
interpolated_value_at_fractional_coordinate
(
coord
)
[source]
¶
projections
=
{'x':
0,
'y':
1,
'z':
2}
¶
read_dimensions
(
)
[source]
¶
read_from_filename
(
filename
)
[source]
¶
read_grid
(
)
[source]
¶
write_dimensions
(
)
[source]
¶
write_grid
(
)
[source]
¶
write_to_filename
(
filename
)
[source]
¶
interpolate
(
i
,
j
,
x
)
[source]
¶
trilinear_interpolation
(
cube
,
r
)
[source]
¶
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