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
physics
potentials
custom_potential_section
definitions
potential_definitions
potential_sections
potentials
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_2D
test_custom_section
test_occupancy
test_potential
test_structure
sprkkr
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
potentials
test
parsing_results
RepeatedKey
View page source
RepeatedKey
class
ase2sprkkr.potentials.test.parsing_results.
RepeatedKey
(
key
)
[source]
Class hierarchy
Constructor
__init__
(
key
)
class
ResultClass
[source]
add
(
too
,
val
)
[source]