yapanuwan
/
BergEC-jl
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Disable error estimation and pseudoinverse

This commit is contained in:
Nuwan Yapa 2025-02-06 15:08:24 -05:00
parent 06975b2603
commit 106cd035ce
4 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
EC.jl
View File

@ -95,7 +95,7 @@ If a list is provided for ref_eval, they are used as reference values for pickin
If a single number is provided for ref_eval, it is used as a reference for the first point, and the previous eigenvalue is used as the reference for each successive point.
If precalculated_exact_E is provided, ref_eval is ignored.
If pseudo_inv_tol > 0, the GEVP is avoided using Moore-Penrose psuedoinverse, using this value as the relative tolerance for dropping redundant vectors."
function extrapolate!(EC::affine_EC, c_vals; ref_eval=EC.training_E[end], pseudo_inv_tol=1e-6, verbose=true, tol=1e-5, precalculated_exact_E=nothing)
function extrapolate!(EC::affine_EC, c_vals; ref_eval=EC.training_E[end], pseudo_inv_tol=0, verbose=true, tol=1e-5, precalculated_exact_E=nothing)
@assert EC.trained "EC model must be trained using train() before extrapolation"
for c in c_vals

2
calculations/3body_Berggren_B2R_EC.jl
View File

@ -32,7 +32,7 @@ extrapolating_ref = [4.076662025307587-0.012709842443350328im,
1.7164583929199813-0.0005455212208182736im,
1.233088227541505-0.0003070320106485624im]
EC = affine_EC(H0, Vp, weights; ensemble_size=32)
EC = affine_EC(H0, Vp, weights)
train!(EC, training_c; ref_eval=training_ref, CAEC=true)
extrapolate!(EC, extrapolating_c; ref_eval=extrapolating_ref)

2
calculations/3body_CSM_B2R_EC.jl
View File

@ -32,7 +32,7 @@ exact_E = [4.076662025307587-0.012709842443350328im,
1.7164583929199813-0.0005455212208182736im,
1.233088227541505-0.0003070320106485624im]
EC = affine_EC(H0, Vp, weights; ensemble_size=32)
EC = affine_EC(H0, Vp, weights)
train!(EC, training_c; ref_eval=training_ref, CAEC=true)
extrapolate!(EC, extrapolating_c; precalculated_exact_E=exact_E)

2
calculations/3body_HO_B2R_EC.jl
View File

@ -28,7 +28,7 @@ extrapolating_ref = [4.076662025307587-0.012709842443350328im,
training_c = [2.6, 2.4, 2.2, 2.0, 1.8]
extrapolating_c = 0.0 : 0.2 : 1.2
EC = affine_EC(H0, Vp; ensemble_size=32)
EC = affine_EC(H0, Vp)
train!(EC, training_c; ref_eval=training_ref, CAEC=true)
extrapolate!(EC, extrapolating_c; ref_eval=extrapolating_ref)