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Update representations.py #147

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Update representations.py #147

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Update representations.py 
np.inf does not exist in newer versions of numpy, replaced with inf
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@puckvg
puckvg authored Jul 26, 2023
commit 5158858e89d519cb6df0586fa97d3cdaf1d6bd00
2 changes: 1 addition & 1 deletion qml/representations/representations.py
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Original file line number Diff line number Diff line change
Expand Up @@ -340,7 +340,7 @@ def get_slatm_mbtypes(nuclear_charges, pbc='000'):
zsmax = np.array( list(zsmax) )
nass = []
for i in range(nm):
zsi = np.array(zs[i],np.int)
zsi = np.array(zs[i],int)
nass.append( [ (zi == zsi).sum() for zi in zsmax ] )

nzmax = np.max(np.array(nass), axis=0)
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