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Clarify an output line in LASSI (issue #58)
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MatthewRHermes committed Jan 18, 2024
1 parent 632925b commit 7785c80
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion my_pyscf/lassi/lassi.py
Original file line number Diff line number Diff line change
Expand Up @@ -268,7 +268,7 @@ def lassi (las, mo_coeff=None, ci=None, veff_c=None, h2eff_sub=None, orbsym=None
idx_space, idx_prod = indices
ci_blk, nelec_blk = indexed
idx_allprods.extend (list(np.where(idx_prod)[0]))
lib.logger.info (las, 'Diagonalizing LASSI symmetry block %d\n'
lib.logger.info (las, 'Build + diag H matrix LASSI symmetry block %d\n'
+ '{} = {}\n'.format (qn_lbls, sym)
+ '(%d rootspaces; %d states)', it,
np.count_nonzero (idx_space),
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