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Description
Describe the Code Quality Issue
bfgs_trad
as the newest BFGS method (algorithm like which in ASE) has been widely used in user community and get good response, while old bfgs
method (algorithm like which in QE) tend to have problem and can be replaced. However, the old bfgs
method tend to be used in prefer for fresh users due to its simplicity, and user my think this bfgs
is a more recommended method. So I consider that we can use bfgs
as a representation of the bfgs_trad
method, while the old bfgs
can be changed to another longer name.
Additional Context
Also, the default value of relax_method
is cg
, which is normal but the efficiency tend to be lower than the BFGS in ASE (as 'bfgs_trad' in ABACUS now), I think we can also change the default value of relax_method
.