From 1e15ebd70bee9e7474d30ddc98d89bdf9df79a97 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 2 Jan 2016 22:01:52 +0100 Subject: [PATCH] Changed default threshold for HF and davidson --- plugins/Hartree_Fock/EZFIO.cfg | 2 +- src/Determinants/EZFIO.cfg | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/plugins/Hartree_Fock/EZFIO.cfg b/plugins/Hartree_Fock/EZFIO.cfg index d8207cc4..8ed60e27 100644 --- a/plugins/Hartree_Fock/EZFIO.cfg +++ b/plugins/Hartree_Fock/EZFIO.cfg @@ -2,7 +2,7 @@ type: Threshold doc: Threshold on the convergence of the Hartree Fock energy interface: ezfio,provider,ocaml -default: 1.e-10 +default: 1.e-12 [n_it_scf_max] type: Strictly_positive_int diff --git a/src/Determinants/EZFIO.cfg b/src/Determinants/EZFIO.cfg index 9613c6c1..4ab84b7a 100644 --- a/src/Determinants/EZFIO.cfg +++ b/src/Determinants/EZFIO.cfg @@ -44,7 +44,7 @@ default: False type: Threshold doc: Thresholds of Davidson's algorithm interface: ezfio,provider,ocaml -default: 1.e-8 +default: 1.e-12 [threshold_generators] type: Threshold