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
version
config
sprkkr
reference_systems
ReferenceSystem
structure
build
sprkkr_grammar_types
atoms_region
atomic_types
configuration
occupations
radial
radial_meshes
io_data
sysfile
sites
sprkkr_atoms
calculator
test
tools
input_parameters
outputs
potentials
physics
ase
asr
visualise
output_files
common
ASE2SPRKKR
ase2sprkkr
sprkkr
reference_systems
ReferenceSystem
View page source
ReferenceSystem
class
ase2sprkkr.sprkkr.reference_systems.
ReferenceSystem
(
vref
,
rmtref
)
[source]
#TODO - doc
Class hierarchy
Constructor
__init__
(
vref
,
rmtref
)
[source]
to_tuple
(
)
[source]
static
default
(
)
[source]
copy
(
)
[source]