SIRIUS 7.5.0
Electronic structure library and applications
nlcglib Directory Reference

Directories

directory  preconditioner
 

Files

file  adaptor.cpp [code]
 Contains implementation of the interface to nlcglib.
 
file  adaptor.hpp [code]
 Contains defintion of nlcglib interface.
 
file  apply_hamiltonian.hpp [code]
 Helper function for nlcglib.
 
file  call_nlcg.hpp [code]
 Wrapper to invoke nlcglib direct minimization.
 
file  inverse_overlap.hpp [code]
 provides S⁻¹
 
file  overlap.hpp [code]
 
file  ultrasoft_precond.hpp [code]
 Provides preconditioner for ultrasoft case.