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
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
type_from_type_map
type_from_set_map
recognized_set_types
warnings
mixed
data
grammar_type
arrays
basic
examples
ASE2SPRKKR
ase2sprkkr
common
grammar_types
arrays
SpecialColumn
View page source
SpecialColumn
class
ase2sprkkr.common.grammar_types.arrays.
SpecialColumn
(
table
,
column
,
label
,
format
,
*
,
default_format
=
'<4'
)
[source]
A special column for
Table
Class hierarchy
Constructor
__init__
(
table
,
column
,
label
,
format
,
*
,
default_format
=
'<4'
)
[source]
add_grammar
(
grammar
)
[source]
add_header_grammar
(
grammar
)
[source]
format_string
(
val
)
[source]
header
(
)
[source]