ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides
Examples
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
bindings
version
config
sprkkr
tools
input_parameters
outputs
potentials
physics
ase
asr
visualise
output_files
common
no_output
directory
formats
subprocess
unique_values
grammar
process_output_reader
alternative_types
yaml
misc
decorators
debug
parsing_results
dict_from_parsed
ArrayKey
DefDictKey
DictKey
IgnoredKey
Key
RepeatedKey
Result
SubKey
ValidateKey
Values
repeated_configuration_containers
section_adaptors
warnings
options
generated_configuration_definitions
doc
tools
lazy_string
configuration_definitions
configuration
configuration_containers
backward_compatibility
value_definitions
container_definitions
init_tests
test
grammar_types
examples
ASE2SPRKKR
ase2sprkkr
common
parsing_results
DictKey
View page source
DictKey
class
ase2sprkkr.common.parsing_results.
DictKey
(
key
,
sub
)
[source]
Class hierarchy
Constructor
__init__
(
key
,
sub
)
class
ResultClass
[source]
add
(
too
,
value
)
[source]