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Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
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eginer 2023-09-01 11:35:54 +02:00
commit 2ff59e6869
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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