Commit 93a67ec8 authored by Nick R. Papior's avatar Nick R. Papior
Browse files

Temporary work-around for supercell changes

The TS branch introduced a kill of siesta when the supercell
was changed during an MD. This may not always be the case if the
supercell structure is correct, but the connected supercells are
changing. In that case will it be acceptable to continue. However,
there may be cases where this is not applicable.
This will be fully fixed in future cases where the supercell information
is retained in restart files.
parent 5d094062
...@@ -75,10 +75,9 @@ ...@@ -75,10 +75,9 @@
if ( maxval_j_in /= maxval_j_out ) then if ( maxval_j_in /= maxval_j_out ) then
! Print out the different values ! Print out the different values
print *,'in, out',maxval_j_in,maxval_j_out write(*,'(a,tr2,i0,a,tr2,i0)') &
call die('Supercell has changed from a read & 'WARNING: Connected supercells may have changed: [in]/[out]', &
&in structure. I do not dare to continue... & maxval_j_in, '/',maxval_j_out
&Full restart is required.')
end if end if
! Maximum "column" index ! Maximum "column" index
......
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