PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Namespaces
pawpyseed.core Namespace Reference

Namespaces

 gaunt
 
 noncollinear
 
 projector
 Defines the Projector class for evaluating AE and PS projection operators.
 
 quad_check
 
 quadrature
 
 rayleigh
 
 symmetry
 Utilities related to symmetry of the crystal structure, namely finding symmetrically identical k-points and the space group operators that map between them.
 
 test_radial
 
 utils
 Miscellaneous utilities file for the Python portion of the code.
 
 wavefunction
 Base class containing Python classes for parsing files and storing and analyzing wavefunction data.