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Changed default threshold for HF and davidson

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This commit is contained in:
Anthony Scemama 2016-01-02 22:01:52 +01:00
parent 26cc06de49
commit 1e15ebd70b
2 changed files with 2 additions and 2 deletions
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2
plugins/Hartree_Fock/EZFIO.cfg
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@ -2,7 +2,7 @@
type: Threshold type: Threshold
doc: Threshold on the convergence of the Hartree Fock energy doc: Threshold on the convergence of the Hartree Fock energy
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: 1.e-10 default: 1.e-12
[n_it_scf_max] [n_it_scf_max]
type: Strictly_positive_int type: Strictly_positive_int

2
src/Determinants/EZFIO.cfg
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@ -44,7 +44,7 @@ default: False
type: Threshold type: Threshold
doc: Thresholds of Davidson's algorithm doc: Thresholds of Davidson's algorithm
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: 1.e-8 default: 1.e-12
[threshold_generators] [threshold_generators]
type: Threshold type: Threshold