SIRIUS 7.5.0
Electronic structure library and applications
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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. | |