SIRIUS 7.5.0
Electronic structure library and applications
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Files | |
file | historylist.hpp [code] |
Implementation of the SQNM method. More informations about the algorithm can be found here: https://aip.scitation.org/doi/10.1063/1.4905665. | |
file | periodic_optimizer.hpp [code] |
Implementation of the vc-sqnm method. More informations about the algorithm can be found here: https://arxiv.org/abs/2206.07339. | |
file | sqnm.hpp [code] |
Implementation of the SQNM method. More informations about the algorithm can be found here: https://aip.scitation.org/doi/10.1063/1.4905665. | |