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fix for bsse basis on bqs https://github.com/nwchemgit/nwchem/issues/611

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edoapra 2022-05-05 17:31:48 -07:00
parent cbbd02a072
commit 56b4b228f5
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4
src/ccca/ccca_utils.F
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@ -146,6 +146,10 @@ c
endif
call bas_tag_lib(basis, osegment, atom_lab(idx), atom_lab(idx),
$ mybas, filename, orel)
c load bq to keep DFT quiet
call bas_tag_lib(basis, osegment,
B 'bq'//atom_lab(idx), atom_lab(idx),
$ mybas, filename, orel)
30 continue
c
if (.not. bas_set_spherical(basis, ospherical)) call