Commit 0ceb523f authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents 8e968034 2bfc3d37
......@@ -23,7 +23,6 @@ CONTAINS
TYPE(t_vacuum),INTENT(IN) :: vacuum
! ..
! .. Local Scalars ..
REAL,PARAMETER:: zero=0.0
REAL sum
INTEGER i,jsp,n,nat1,ierr
REAL eps_force
......@@ -61,11 +60,9 @@ CONTAINS
8005 FORMAT (/,' ***** TOTAL FORCES ON ATOMS ***** ',/)
IF (input%l_f) CALL openXMLElement('totalForcesOnRepresentativeAtoms',(/'units'/),(/'Htr/bohr'/))
nat1 = 1
forcetot = 0.0
DO n = 1,atoms%ntype
IF (atoms%l_geo(n)) THEN
DO i = 1,3
forcetot(i,n) = zero
END DO
DO jsp = 1,input%jspins
DO i = 1,3
forcetot(i,n) = forcetot(i,n) + results%force(i,n,jsp)
......
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