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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. | |