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fix for SMD issue https://github.com/nwchemgit/nwchem/issues/776#issuecomment-1557831061

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edoapra 2023-05-22 14:36:03 -07:00
parent 957c454548
commit b8a3c97789
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1 changed files with 8 additions and 8 deletions
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16
src/solvation/cosmo_initialize.F
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@ -341,21 +341,21 @@ c
c if set by the user
c
status = rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:dielecinf',mt_dbl,1,dielecinf)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:solb',mt_dbl,1,solb)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:solc',mt_dbl,1,solc)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:solg',mt_dbl,1,solg)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:solh',mt_dbl,1,solh)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:soln',mt_dbl,1,soln)
status = status.or.
status = status.and.
S rtdb_get(rtdb,'cosmo:icds',mt_int,1,icds)
if(.not.status) then
if(odbug.and.me.eq.0)