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
sprkkr
atomic_types
atoms_region
build
calculator
configuration
io_data
moments
occupations
radial
radial_meshes
reference_systems
sites
spacegroup_info
sprkkr_atoms
sprkkr_grammar_types
structure
sysfile
test
init_tests
test_arpes
test_build
test_calculator
test_occupation
test_sites
test_spacegroup_info
test_sprkkr_atoms
test_sysfile
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
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
sprkkr
test
test_sprkkr_atoms
TestSPRKKRAtoms
View page source
TestSPRKKRAtoms
class
ase2sprkkr.sprkkr.test.test_sprkkr_atoms.
TestSPRKKRAtoms
[source]
Class hierarchy
Constructor
__init__
(
)
test_extend
(
)
[source]
test_atoms
(
)
[source]
test_symmetry
(
)
[source]
test_occupancy
(
)
[source]