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
input_parameters
output_files
outputs
output_definitions
readers
sprkkr_output_reader
task_result
KkrProcess
KkrProcessRunner
TaskResult
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
ase2sprkkr
outputs
task_result
KkrProcess
View page source
KkrProcess
class
ase2sprkkr.outputs.task_result.
KkrProcess
(
runner
,
output_reader
,
coroutine
,
callback
=
None
)
[source]
Class hierarchy
Constructor
__init__
(
runner
,
output_reader
,
coroutine
,
callback
=
None
)
[source]
run
(
)
[source]
stop_the_process
(
)
[source]
async
run_async
(
)
[source]