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
ase
bindings
common
input_parameters
outputs
physics
potentials
sprkkr
atomic_types
atoms_region
build
calculator
configuration
io_data
occupations
radial_meshes
reference_systems
ReferenceSystem
sites
sprkkr_atoms
sprkkr_grammar_types
structure
sysfile
test
tools
version
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]