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
config
version
sprkkr
reference_systems
structure
build
sprkkr_grammar_types
sysfile
atoms_region
atomic_types
calculator
configuration
io_data
occupations
radial
radial_meshes
sites
sprkkr_atoms
test
init_tests
test_build
test_sprkkr_atoms
test_sysfile
test_arpes
test_calculator
test_occupation
test_sites
tools
input_parameters
outputs
potentials
physics
ase
asr
visualise
output_files
common
ASE2SPRKKR
ase2sprkkr
sprkkr
test
test_calculator
_fast_atoms
View page source
_fast_atoms
Full name:
ase2sprkkr.sprkkr.test.test_calculator._fast_atoms
ase2sprkkr.sprkkr.test.test_calculator.
_fast_atoms
(
b
,
jrws
=
20
,
r1
=
2e-06
)
[source]