Precalculated exact E for distinguishable system

This commit is contained in:
ysyapa 2025-02-07 23:41:41 +00:00
parent d075aa7436
commit e32b3a758d
1 changed files with 8 additions and 1 deletions

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@ -37,9 +37,16 @@ extrapolating_c = [0.2, 0.1, 0.0, -0.1, -0.2, -0.3]
ref_E = -0.5173809356244544
exact_ref = [-0.3136074661528041-0.07689284936868852im
-0.323337240387771-0.06011323914564878im
-0.33961558207479553-0.04239442037174764im
-0.3633381653424224-0.026487218259589693im
-0.393766505613234-0.014382935339825854im
-0.42994798255352606-0.006510710745131777im]
EC = affine_EC(Ha, Vb)
train!(EC, training_c; ref_eval=ref_E, CAEC=true) # try CAEC=false !!!
extrapolate!(EC, extrapolating_c)
extrapolate!(EC, extrapolating_c, precalculated_exact_E = exact_ref)
exportCSV(EC, "temp/dis_HO_B2R.csv")
plot(EC, "temp/dis_HO_B2R.pdf")