ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
bindings
config
version
sprkkr
tools
input_parameters
outputs
potentials
physics
ase
asr
visualise
output_files
common
alternative_types
doc
no_output
configuration
configuration_containers
configuration_definitions
container_definitions
decorators
directory
formats
generated_configuration_definitions
grammar
init_tests
misc
options
process_output_reader
repeated_configuration_containers
subprocess
tools
unique_values
value_definitions
warnings
test
grammar_types
type_from_type_map
type_from_set_map
recognized_set_types
arrays
basic
data
grammar_type
mixed
warnings
ASE2SPRKKR
ase2sprkkr
common
grammar_types
warnings
ase2sprkkr.common.grammar_types.warnings.SuspiciousValueWarning
View page source
ase2sprkkr.common.grammar_types.warnings.SuspiciousValueWarning
exception
ase2sprkkr.common.grammar_types.warnings.
SuspiciousValueWarning
(
value
,
message
)
[source]