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Change defaults in mo_optimization

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This commit is contained in:
Anthony Scemama 2023-08-22 11:27:36 +02:00
parent c1704e7841
commit c0b221f647
1 changed files with 2 additions and 2 deletions
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4
src/mo_optimization/EZFIO.cfg
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@ -2,7 +2,7 @@
type: character*(32) type: character*(32)
doc: Define the kind of hessian for the orbital optimization full : full hessian, diag : diagonal hessian, none : no hessian doc: Define the kind of hessian for the orbital optimization full : full hessian, diag : diagonal hessian, none : no hessian
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: full default: diag
[n_det_max_opt] [n_det_max_opt]
type: integer type: integer
@ -14,7 +14,7 @@ default: 200000
type: integer type: integer
doc: Maximal number of iterations for the orbital optimization doc: Maximal number of iterations for the orbital optimization
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: 20 default: 10
[thresh_opt_max_elem_grad] [thresh_opt_max_elem_grad]
type: double precision type: double precision