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check case of tags

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edoapra 2024-11-06 18:47:02 -08:00
parent b82d0ce50d
commit 50defee72f
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1 changed files with 6 additions and 2 deletions
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8
src/basis/basis.F
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@ -4481,6 +4481,7 @@ c::local
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
integer b_atn ! basis set tag -> atomic number
logical debug ! true for extra output
c
@ -4511,10 +4512,13 @@ c
c
c... first match full geometry tag to full basis tag list
c did the user specifically assign a tag ?
c lowercase tags
call inp_lcase(gstring)
nbtgs = infbs_head(HEAD_NTAGS,basis)
do i = 1, nbtgs
if (gstring.eq.bs_tags(i,basis)) then
bs_tag_i=bs_tags(i,basis)
call inp_lcase(bs_tag_i)
if (gstring.eq.bs_tag_i) then
bas_match_tags = .true.
btag = i
bsmatch = bs_tags(i,basis)