- added a check in read_card so that if a specie is given and

no atom of this specie is entered in ATOMIC_POSITIONS
  the code stops. This is to avoid that the code stops later
  with messages unrelated to the real problem.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4816 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
cavazzon 2008-04-16 13:51:38 +00:00
parent ccb9711221
commit 4f25065094
1 changed files with 7 additions and 0 deletions

View File

@ -609,6 +609,13 @@ MODULE read_cards_module
!
END IF
!
DO is = 1, ntyp
IF( na_inp( is ) < 1 ) THEN
CALL errore( 'read_cards', &
'no atom found in ATOMIC_POSITIONS for species '//TRIM(atom_label(is)), is )
END IF
END DO
!
tapos = .TRUE.
tread = .TRUE.
!