From 20d057b7d1c046ef6872d6713e57511e4adc311e Mon Sep 17 00:00:00 2001 From: ydamour Date: Fri, 21 Apr 2023 13:44:51 +0200 Subject: [PATCH] unecessary parameter --- src/mo_optimization/EZFIO.cfg | 6 ------ 1 file changed, 6 deletions(-) diff --git a/src/mo_optimization/EZFIO.cfg b/src/mo_optimization/EZFIO.cfg index 8944e507..e6aa2d67 100644 --- a/src/mo_optimization/EZFIO.cfg +++ b/src/mo_optimization/EZFIO.cfg @@ -4,12 +4,6 @@ doc: Define the kind of hessian for the orbital optimization full : full hessian interface: ezfio,provider,ocaml 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] 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)