From c0b221f64706ef9a52d71a5b1655a16e04a69ff1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 22 Aug 2023 11:27:36 +0200 Subject: [PATCH] Change defaults in mo_optimization --- src/mo_optimization/EZFIO.cfg | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/mo_optimization/EZFIO.cfg b/src/mo_optimization/EZFIO.cfg index e6aa2d67..078da3a2 100644 --- a/src/mo_optimization/EZFIO.cfg +++ b/src/mo_optimization/EZFIO.cfg @@ -2,7 +2,7 @@ type: character*(32) doc: Define the kind of hessian for the orbital optimization full : full hessian, diag : diagonal hessian, none : no hessian interface: ezfio,provider,ocaml -default: full +default: diag [n_det_max_opt] type: integer @@ -14,7 +14,7 @@ default: 200000 type: integer doc: Maximal number of iterations for the orbital optimization interface: ezfio,provider,ocaml -default: 20 +default: 10 [thresh_opt_max_elem_grad] type: double precision