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
configuration
examples
input_parameters
output_files
outputs
output_definitions
readers
sprkkr_output_reader
task_result
test
alternative_types
backward_compatibility
configuration
debug
decorators
directory
doc
formats
grammar
grammar_types
init_tests
lazy_string
misc
no_output
parsing_results
process_output_reader
subprocess
test
tools
unique_values
warnings
yaml
test_output
physics
potentials
sprkkr
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
outputs
test
grammar_types
arrays
SpecialColumn
View page source
SpecialColumn
class
ase2sprkkr.outputs.test.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]