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Small bugfix to avoid 'Array already allocated' error. (D.C.) 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3984 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ceresoli 2007-06-26 10:38:57 +00:00
parent ccf7f38cef
commit ff27eb2f1c
1 changed files with 4 additions and 2 deletions
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6
Modules/bfgs_module.f90
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@ -180,7 +180,7 @@ MODULE bfgs_module
!
! ... quick return if possible
!
IF ( stop_bfgs ) RETURN
IF ( stop_bfgs ) GOTO 1000
!
! ... some output is written
!
@ -367,6 +367,7 @@ MODULE bfgs_module
!
! ... work-space deallocation
!
1000 CONTINUE
DEALLOCATE( pos_p )
DEALLOCATE( grad_p )
DEALLOCATE( pos_old )
@ -375,13 +376,14 @@ MODULE bfgs_module
DEALLOCATE( step )
DEALLOCATE( step_old )
DEALLOCATE( pos_best )
RETURN
!
CONTAINS
!
!--------------------------------------------------------------------
SUBROUTINE gdiis_step()
!--------------------------------------------------------------------
!
USE basic_algebra_routines
IMPLICIT NONE
!
REAL(DP), ALLOCATABLE :: res(:,:), overlap(:,:), work(:)