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comment wyckoff output
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zdcao121 committed Apr 22, 2024
1 parent a9b6d1a commit 9d69638
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/wyckoff.py
Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,7 @@ def build_g_code():
mult_table[g, 1:len(mult)+1] = mult
wmax_table[g] = len(mult)

print (g+1, [len(w) for w in wyckoffs])
# print (g+1, [len(w) for w in wyckoffs])
for w, wyckoff in enumerate(wyckoffs):
wyckoff = np.array(wyckoff)
repeats = symops.shape[2] // wyckoff.shape[0]
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