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, an extension of the Wavefunction class for evaluating AE projection operators.
 
 quad_check
 
 quadrature
 
 rayleigh
 
 test_radial
 
 utils
 Main utilities file for the Python portion of the code.
 
 wavefunction
 Base class containing Python classes for parsing files and storing and analyzing wavefunction data.