ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
ase
bindings
common
input_parameters
outputs
output_definitions
readers
default
scf
task_result
test
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
»
ase2sprkkr
»
outputs
»
readers
»
default
»
DefaultOutputReader
View page source
DefaultOutputReader
class
ase2sprkkr.outputs.readers.default.
DefaultOutputReader
(
input_parameters
,
calculator
,
directory
,
*
args
,
**
kwargs
)
[source]
Class hierarchy
Constructor
__init__
(
input_parameters
,
calculator
,
directory
,
*
args
,
**
kwargs
)
async
read_output
(
stdout
)
[source]
result_class
alias of
DefaultResult