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
reference_systems
structure
sprkkr_grammar_types
configuration
atomic_types
moments
Moments
radial
sysfile
calculator
radial_meshes
occupations
sites
build
atoms_region
sprkkr_atoms
spacegroup_info
io_data
test
tools
input_parameters
outputs
potentials
physics
ase
asr
visualise
output_files
common
examples
ASE2SPRKKR
ase2sprkkr
sprkkr
moments
Moments
View page source
Moments
class
ase2sprkkr.sprkkr.moments.
Moments
(
qel
,
nos
,
smt
,
omt
,
hff
)
[source]
Class hierarchy
Constructor
__init__
(
qel
,
nos
,
smt
,
omt
,
hff
)
[source]
as_tuple
(
)
[source]
copy
(
)
[source]