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unecessary parameter

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Yann Damour 2023-04-21 13:44:51 +02:00
parent f228b0a3a4
commit 20d057b7d1
1 changed files with 0 additions and 6 deletions
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src/mo_optimization/EZFIO.cfg
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@ -4,12 +4,6 @@ doc: Define the kind of hessian for the orbital optimization full : full hessian
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: full default: full
[n_det_start]
type: integer
doc: Number of determinants after which the orbital optimization will start, n_det_start must be greater than 1. The algorithm does a cipsi until n_det > n_det_start and the optimization starts after
interface: ezfio,provider,ocaml
default: 5
[n_det_max_opt] [n_det_max_opt]
type: integer type: integer
doc: Maximal number of the determinants in the wf for the orbital optimization (to stop the optimization if n_det > n_det_max_opt) doc: Maximal number of the determinants in the wf for the orbital optimization (to stop the optimization if n_det > n_det_max_opt)