add bi2te3 viz with soap rcuts from sisclab22p6 for hds-lee-eval-poster

fig/poster-2023-02-14/initial-results/wp2-with-gpr/soap-krr_parity-plot_soap-rcut-2-to-16-k-lin-to-gopt-gamma-50.txt

+soap_params_template = dict(
+    r_cut='template',
+    n_max='template',
+    l_max='template',
+    sigma='template',
+    rbf='gto',
+    weighting=None,
+    crossover=True,
+    average='inner',
+    species=global_species,
+    periodic=False,
+    sparse=False,
+    dtype='float64'
+)
+
+soap_params1 = soap_params_template.copy()
+soap_params1.update(dict(
+    r_cut=2.0,
+    n_max=7,
+    l_max=6,
+    sigma=0.75
+))
+
+soap_params2 = soap_params_template.copy()
+soap_params2.update(dict(
+    r_cut=4.0,
+    n_max=7,
+    l_max=6,
+    sigma=0.75
+))
+
+soap_params3 = soap_params_template.copy()
+soap_params3.update(dict(
+    r_cut=16.0,
+    n_max=7,
+    l_max=6,
+    sigma=0.75
+))
+
+# kernels gauss gopt
+gamma = 1.0/(2*1e-1**2)
+
+train_test_split = 0.2
+
+# kernel ridge
+lamda = 1e-8 # regularization (lambda is a Python keyword)
+
+maes, rows=soap1-3, columns=klin,kquad,kgauss,kgopt
+0.2774131916924177 0.23972883617185559 0.2470158155265294 0.24710529251754
+0.395749519196658 0.5223752406809169 0.11153731966195836 0.11070878105727575
+0.09879230141180219 0.08647223108375492 0.07484704633814342 0.07519237869819785
+
+r2s, rows=soap1-3, columns=klin,kquad,kgauss,kgopt
+0.9478329302568231 0.9220328204910648 0.8891094499308915 0.8889533008884065
+-0.879544152264141 -11.788609440700458 0.9381665739404782 0.9406498986952988
+0.9569682696557926 0.9741412354770155 0.9424936360028437 0.9424786641700156
+
+