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new format for integrals write in file
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324298fd84
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@ -96,7 +96,7 @@ def write_matrix_to_file(matrix,size,file,cutoff=1e-15):
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for i in range(size):
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for j in range(i,size):
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if abs(matrix[i][j]) > cutoff:
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f.write(str(i+1)+' '+str(j+1)+' '+"{}".format(matrix[i][j]))
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f.write(str(i+1)+' '+str(j+1)+' '+"{:.16E}".format(matrix[i][j]))
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f.write('\n')
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f.close()
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@ -125,7 +125,7 @@ def write_tensor_to_file(tensor,size,file,cutoff=1e-15):
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for k in range(i,size):
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for l in range(j,size):
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if abs(tensor[i][k][j][l]) > cutoff:
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f.write(str(i+1)+' '+str(j+1)+' '+str(k+1)+' '+str(l+1)+' '+"{}".format(tensor[i][k][j][l]))
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f.write(str(i+1)+' '+str(j+1)+' '+str(k+1)+' '+str(l+1)+' '+"{:.16E}".format(tensor[i][k][j][l]))
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f.write('\n')
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f.close()
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