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
ase
asr
bindings
common
alternative_types
backward_compatibility
configuration
configuration_containers
configuration_definitions
gather
if_defined
if_not_defined
switch
BaseDefinition
ControlDefinition
Gather
Ignored
NotAllowed
RealItemDefinition
SeparatorDefinition
Stub
Switch
VirtualDefinition
container_definitions
debug
decorators
directory
doc
formats
generated_configuration_definitions
grammar
grammar_types
init_tests
lazy_string
misc
no_output
options
parsing_results
process_output_reader
repeated_configuration_containers
section_adaptors
subprocess
test
tools
unique_values
value_definitions
warnings
yaml
configuration
examples
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
common
configuration_definitions
SeparatorDefinition
View page source
SeparatorDefinition
class
ase2sprkkr.common.configuration_definitions.
SeparatorDefinition
(
separator_type
=
None
,
length
=
None
,
write_condition
=
None
)
[source]
Basic class for separators
Class hierarchy
Constructor
__init__
(
separator_type
=
None
,
length
=
None
,
write_condition
=
None
)
[source]
_create_grammar
(
allow_dangerous
=
False
)
[source]
_save_to_file
(
file
,
value
,
always
=
False
,
name_in_grammar
=
None
,
delimiter
=
''
)
[source]