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
bindings
version
config
sprkkr
tools
input_parameters
outputs
potentials
custom_potential_section
potential_sections
potential_definitions
potentials
definitions
test
init_tests
test_custom_section
test_structure
test_potential
test_2D
test_occupancy
physics
ase
asr
visualise
output_files
common
examples
ASE2SPRKKR
ase2sprkkr
potentials
test
test_potential
TestPotential
View page source
TestPotential
class
ase2sprkkr.potentials.test.test_potential.
TestPotential
[source]
Class hierarchy
Constructor
__init__
(
)
test_grammar
(
)
[source]
test_potential
(
temporary_dir
)
[source]
test_2D
(
temporary_dir
)
[source]
test_potential_data
(
temporary_dir
)
[source]
test_examples
(
)
[source]
test_sequence
(
)
[source]
test_reset
(
)
[source]