[QE-users] question on a comment line in gdiis_step() of bfgs_module.f90

[连云龙]

Dear QE users and developers,




I am reading the source code of QE. I found the line 510 (IT IS A COMMENT LINE) in bfgs_module.f90 a bit confusing.

         ! ... overlap_ij = <grad_i|res_j>

should it be " overlap_ij = <res_i|res_j> " ?




Best,

Yunlong




--
------------------- 连云龙 | Yunlong LIAN ORCID : https://orcid.org/0000-0002-9474-2181 中国散裂中子源 | CSNS 中子科学部 | Dongguan Neutron Science Center 中国广东省东莞市 | Dongguan, Guangdong, P. R. China
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