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Replace numpy.lib.pad with numpy.pad

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This commit is contained in:
Nils Wentzell 2024-06-21 12:01:06 -04:00
parent 792abcb710
commit f134fc8fa3
1 changed files with 2 additions and 2 deletions
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python/triqs_dft_tools/converters/elk.py
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@ -197,7 +197,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk):
#extra array elements in each dimension #extra array elements in each dimension
size=2*corr_shells[ish]['l']+1 size=2*corr_shells[ish]['l']+1
#extend the arrays #extend the arrays
T[ish]=numpy.lib.pad(T[ish],((0,size),(0,size)),'constant',constant_values=(0.0)) T[ish]=numpy.pad(T[ish],((0,size),(0,size)),'constant',constant_values=(0.0))
#make block diagonal #make block diagonal
T[ish][size:2*size,size:2*size]=T[ish][0:size,0:size] T[ish][size:2*size,size:2*size]=T[ish][0:size,0:size]
#update the symmetries arrays if needed #update the symmetries arrays if needed
@ -209,7 +209,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk):
spinmat = numpy.zeros([size,2,size,2],complex) spinmat = numpy.zeros([size,2,size,2],complex)
for isym in range(n_symm): for isym in range(n_symm):
#expand size of array #expand size of array
mat[isym][ish]=numpy.lib.pad(mat[isym][ish],((0,size),(0,size)),'constant',constant_values=(0.0)) mat[isym][ish]=numpy.pad(mat[isym][ish],((0,size),(0,size)),'constant',constant_values=(0.0))
#make arraye block diagonal #make arraye block diagonal
mat[isym][ish][size:2*size,size:2*size]=mat[isym][ish][0:size,0:size] mat[isym][ish][size:2*size,size:2*size]=mat[isym][ish][0:size,0:size]
#apply SU(2) spin matrices to lm symmetries #apply SU(2) spin matrices to lm symmetries