PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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Here is a list of all files with brief descriptions:
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pawpyseed
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analysis
__init__.py
corrections.py
defect_composition.py
plots.py
prep.py
run_pawpy.py
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core
__init__.py
density.h
gaunt.h
gaunt.py
linalg.h
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
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