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switch to bse when NWCHEM_BASIS_LIBRARY is defined for non bse library give the bse input keyword

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edoapra 2022-10-13 18:45:43 -07:00
parent 57683f70cc
commit 00b0dd1c85
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1 changed files with 14 additions and 0 deletions
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14
src/basis/bas_input.F
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@ -1414,8 +1414,22 @@ c . close(unit=unitrc,status='keep') ! close file after library name foun
character*(*) mydir
#include "baslibraryP.fh"
#include "inp.fh"
integer nlen
user_library_name=mydir
call bas_library_file(user_library_name)
c bas_library_file has redefined user_library_name but we want .bse
c if we have already appended .bse return
nlen=inp_strlen(user_library_name)
if(user_library_name(nlen-4:nlen).eq.'.bse/') return
if (mydir.ne.user_library_name) then
if (mydir.eq.'libraries.bse') then
c append .bse
user_library_name=
= user_library_name(1:nlen-1)
/ //'.bse/'
write(*,*) 'new library ',trim(user_library_name)
endif
endif
end
*.....................................................................
subroutine bas_ecce_print_basis(basisin,module_id)