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
definitions
input_parameters
input_parameters_definitions
test
init_tests
test_definitions
test_input_parameters
alternative_types
backward_compatibility
configuration
debug
decorators
directory
doc
formats
grammar
grammar_types
lazy_string
misc
no_output
parsing_results
process_output_reader
subprocess
test
tools
unique_values
warnings
yaml
output_files
outputs
physics
potentials
sprkkr
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
input_parameters
test
test_input_parameters
TestInputParameters
View page source
TestInputParameters
class
ase2sprkkr.input_parameters.test.test_input_parameters.
TestInputParameters
[source]
Class hierarchy
Constructor
__init__
(
)
assertParse
(
text
,
value
,
grammar
)
[source]
parse
(
text
,
grammar
)
[source]
assertNotValid
(
text
,
grammar
=
None
)
[source]
test_section_delimiter_value
(
)
[source]
test_custom_value
(
)
[source]
test_dangerous_value
(
)
[source]
test_is_required
(
)
[source]
test_write_condition
(
)
[source]
test_input_parameters_definition
(
)
[source]
test_set_values
(
)
[source]
test_repeated_value
(
)
[source]
test_sparse_numbered
(
)
[source]
test_gather
(
)
[source]
test_numpy_array
(
)
[source]
test_copy
(
)
[source]
test_length
(
)
[source]
test_switch
(
)
[source]