periodic_optimizer.hpp File Reference

Implementation of the vc-sqnm method. More informations about the algorithm can be found here: https://arxiv.org/abs/2206.07339. More...

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Classes
class	vcsqnm::PES_optimizer::periodic_optimizer

Namespaces
namespace	vcsqnm
	Variable cell stable quasi-Newton lattice optimizer.

Detailed Description

Implementation of the vc-sqnm method. More informations about the algorithm can be found here: https://arxiv.org/abs/2206.07339.

Author

Moritz Gubler (morit.nosp@m.z.gu.nosp@m.bler@.nosp@m.unib.nosp@m.as.ch)

Date

2022-07-13

Definition in file periodic_optimizer.hpp.