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SIRIUS 7.5.0
Electronic structure library and applications
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Files | |
| file | dft_ground_state.cpp [code] |
| Contains implementation of sirius::DFT_ground_state class. | |
| file | dft_ground_state.hpp [code] |
| Contains definition and partial implementation of sirius::DFT_ground_state class. | |
| file | energy.cpp [code] |
| Total energy terms. | |
| file | energy.hpp [code] |
| Total energy terms. | |
| file | lattice_relaxation.hpp [code] |
| Lattice relaxation implementation. | |
| file | smearing.cpp [code] |
| file | smearing.hpp [code] |
| Smearing functions used in finding the band occupancies. | |