Commit 38d422d8 authored by Adam Fekete's avatar Adam Fekete

update notebook, add description, change cutoff distance

parent 88eed24e
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......@@ -402,7 +402,8 @@ def cov_sim_tries(a, b, sig): # SO(3) linear covariant kernel
ri, rj = np.sqrt(ris), np.sqrt(rjs)
# take only particles within the first shell
cut = 4.5
cut = 4.17
a, b = a[ri<= cut], b[rj <= cut]
ris, rjs = ris[ri<= cut], rjs[rj <= cut]
ri, rj = ri[ri<= cut], rj[rj <= cut]
......@@ -637,12 +638,12 @@ def cov_sim48(a, b, sig, theta): # O48 covariant kernel
ris, rjs = ((a**2).sum(1)), ((b**2).sum(1))
ri, rj = np.sqrt(ris), np.sqrt(rjs)
# take only particles within the first shells
cut = 2.7#4.17
cut = 5 #2.7#4.17
a, b = a[ri<= cut], b[rj <= cut]
la, lb = len(a), len(b)
simgij = np.array( [cdist(a, np.einsum('ik, jk -> ji', rten48[sym], b), 'sqeuclidean') for sym in np.arange(48)] )
simgij = np.exp(-simgij/(4*sig**2))
simgij = simgij # np.exp(-simgij/(4*sig**2))
simg = np.einsum('gij -> g', simgij)/((2*(np.pi*sig*sig)**0.5)**D)
# exp:np.exp((2*simg - 2)/(2*theta))
# simsq: simg**2
......
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