ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Authors
Hastily written ASE2SPRKKR slides
Examples
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
promote_ase_atoms
ase
asr
bindings
common
configuration
examples
gui
examples
k_path
plot
shell
chdir
format_as_python_shell
split_top_level_chunks
JupyterLab
Python
Shell
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
ase2sprkkr
gui
shell
Python
View page source
Python
class
ase2sprkkr.gui.shell.
Python
[source]
Run the given code in a Python shell
Class hierarchy
Constructor
__init__
(
)
save
(
filename
)
[source]
open
(
temp
=
False
)
[source]