cleanup

edoapra · Nov 15, 2024 · 2c17e85 · 2c17e85
1 parent 1a88690
commit 2c17e85
Showing 1 changed file with 4 additions and 9 deletions.
diff --git 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))