ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Authors
Hastily written ASE2SPRKKR slides
Examples
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
promote_ase_atoms
ase
build
io
read_SPRKKR
read_sprkkr
write_SPRKKR
write_sprkkr
pbc
register
symbols
visualise
asr
bindings
common
configuration
examples
gui
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
ase2sprkkr
ase
io
write_sprkkr
View page source
write_sprkkr
Full name:
ase2sprkkr.ase.io.write_sprkkr
ase2sprkkr.ase.io.
write_sprkkr
(
fd
,
atoms
,
**
kwargs
)
[source]