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Shorten New Pulay iteration label (#5544)

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SY Wang 2026-07-07 17:51:59 +08:00 • committed by GitHub
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src/qs_gspace_mixing.F
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@ -173,7 +173,7 @@ CONTAINS
mixing_store%iter_method = "Pulay"
ELSEIF (mixing_method == new_pulay_mixing_nr) THEN
CALL pulay_mixing(qs_env, mixing_store, rho, para_env)
mixing_store%iter_method = "New Pulay"
mixing_store%iter_method = "NPulay"
ELSEIF (mixing_method == broyden_mixing_nr) THEN
CALL cite_reference(Broyden1965)
CALL broyden_mixing(qs_env, mixing_store, rho, para_env)