diff --git a/src/basis/basis.F b/src/basis/basis.F index bcfc7b1e8a..4915831234 100644 --- a/src/basis/basis.F +++ b/src/basis/basis.F @@ -4481,7 +4481,6 @@ logical function bas_match_tags(tag_from_geom,basisin,btag) integer g_atn ! geometry tag -> atomic number character*2 b_sym ! basis set tag -> symbol name character*16 b_elem ! basis set tag -> element name - character*16 bs_tag_i,gstring_lcase integer b_atn ! basis set tag -> atomic number logical debug ! true for extra output logical bas_cmplcase @@ -4515,16 +4514,9 @@ logical function bas_match_tags(tag_from_geom,basisin,btag) c... first match full geometry tag to full basis tag list c did the user specifically assign a tag ? c lowercase tags - gstring_lcase=gstring - call inp_lcase(gstring_lcase) -c do not lowercase bqs - if (gstring_lcase(1:2).eq.'bq') gstring_lcase=gstring nbtgs = infbs_head(HEAD_NTAGS,basis) do i = 1, nbtgs - bs_tag_i=bs_tags(i,basis) - call inp_lcase(bs_tag_i) - if (bs_tag_i(1:2).eq.'bq') bs_tag_i=bs_tags(i,basis) - if (gstring_lcase.eq.bs_tag_i) then + if (bas_cmplcase(gstring,bs_tags(i,basis))) then bas_match_tags = .true. btag = i bsmatch = bs_tags(i,basis) @@ -5782,8 +5774,11 @@ logical function bas_cmplcase(a,b) a_lcase=a endif call inp_lcase(a_lcase) +c do not lowercase bqs + if (a_lcase(1:2).eq.'bq') a_lcase=a b_lcase=b call inp_lcase(b_lcase) + if (b_lcase(1:2).eq.'bq') b_lcase=b bas_cmplcase= A a_lcase(1:inp_strlen(a)).eq. B b_lcase(1:inp_strlen(b))