SIRIUS 7.5.0
Electronic structure library and applications
vcsqnm Directory Reference

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.