From 00b0dd1c85560ea7312a61fd09e4d18b8f4712e0 Mon Sep 17 00:00:00 2001 From: edoapra Date: Thu, 13 Oct 2022 18:45:43 -0700 Subject: [PATCH] switch to bse when NWCHEM_BASIS_LIBRARY is defined for non bse library give the bse input keyword --- src/basis/bas_input.F | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/src/basis/bas_input.F b/src/basis/bas_input.F index e2e938681b..9517e2b5f9 100644 --- a/src/basis/bas_input.F +++ b/src/basis/bas_input.F @@ -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)