PAWpySeed Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

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File List
Here is a list of all files with brief descriptions:
[detail level 1 2 3]

▼ pawpyseed |
▼ analysis |
__init__.py |
corrections.py |
defect_composition.py |
plots.py |
prep.py |
run_pawpy.py |
▼ core |
__init__.py |
density.h |
gaunt.h |
gaunt.py |
linalg.h |
momentum.h |
momentum.py |
noncollinear.py |
projector.h |
projector.py |
pseudoprojector.h |
quad_check.py |
quadrature.h |
quadrature.py |
radial.h |
rayleigh.py |
reader.h |
sbt.h |
symmetry.py |
test_radial.py |
utils.h |
utils.py |
wavefunction.py |