From e32b3a758df5f806668a4f5f68e4160d13b61241 Mon Sep 17 00:00:00 2001 From: ysyapa Date: Fri, 7 Feb 2025 23:41:41 +0000 Subject: [PATCH] Precalculated exact E for distinguishable system --- calculations/3body_dis_HO_EC.jl | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/calculations/3body_dis_HO_EC.jl b/calculations/3body_dis_HO_EC.jl index e0a5125..6a92ec2 100644 --- a/calculations/3body_dis_HO_EC.jl +++ b/calculations/3body_dis_HO_EC.jl @@ -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") \ No newline at end of file