Commit d6c67ae8 authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfix for last commit

parent 53f8ff67
......@@ -62,12 +62,13 @@ CONTAINS
CALL this%t_forcetheo%start(potden,l_io) !call routine of basis type
END SUBROUTINE dmi_start
LOGICAL FUNCTION dmi_next_job(this,lastiter,noco)
LOGICAL FUNCTION dmi_next_job(this,lastiter,atoms,noco)
USE m_types_setup
USE m_xmlOutput
IMPLICIT NONE
CLASS(t_forcetheo_dmi),INTENT(INOUT):: this
LOGICAL,INTENT(IN) :: lastiter
TYPE(t_atoms),INTENT(IN) :: atoms
!Stuff that might be modified...
TYPE(t_noco),INTENT(INOUT) :: noco
INTEGER :: itype
......
......@@ -103,13 +103,14 @@ CONTAINS
CALL this%t_forcetheo%start(potden,l_io) !call routine of basis type
END SUBROUTINE jij_start
LOGICAL FUNCTION jij_next_job(this,lastiter,noco)
LOGICAL FUNCTION jij_next_job(this,lastiter,atoms,noco)
USE m_types_setup
USE m_xmlOutput
USE m_constants
IMPLICIT NONE
CLASS(t_forcetheo_jij),INTENT(INOUT):: this
LOGICAL,INTENT(IN) :: lastiter
TYPE(t_atoms),INTENT(IN) :: atoms
!Stuff that might be modified...
TYPE(t_noco),INTENT(INOUT) :: noco
......
......@@ -61,12 +61,13 @@ CONTAINS
END SUBROUTINE mae_start
LOGICAL FUNCTION mae_next_job(this,lastiter,noco)
LOGICAL FUNCTION mae_next_job(this,lastiter,atoms,noco)
USE m_types_setup
USE m_xmlOutput
IMPLICIT NONE
CLASS(t_forcetheo_mae),INTENT(INOUT):: this
LOGICAL,INTENT(IN) :: lastiter
TYPE(t_atoms),INTENT(IN) :: atoms
!Stuff that might be modified...
TYPE(t_noco),INTENT(INOUT) :: noco
IF (.NOT.lastiter) THEN
......
......@@ -65,12 +65,13 @@ CONTAINS
END SUBROUTINE ssdisp_start
LOGICAL FUNCTION ssdisp_next_job(this,lastiter,noco)
LOGICAL FUNCTION ssdisp_next_job(this,lastiter,atoms,noco)
USE m_types_setup
USE m_xmlOutput
IMPLICIT NONE
CLASS(t_forcetheo_ssdisp),INTENT(INOUT):: this
LOGICAL,INTENT(IN) :: lastiter
TYPE(t_atoms),INTENT(IN) :: atoms
!Stuff that might be modified...
TYPE(t_noco),INTENT(INOUT) :: noco
INTEGER :: itype
......
......@@ -240,7 +240,7 @@ CONTAINS
#endif
CALL forcetheo%start(vtot,mpi%irank==0)
forcetheoloop:DO WHILE(forcetheo%next_job(iter==input%itmax,noco))
forcetheoloop:DO WHILE(forcetheo%next_job(iter==input%itmax,atoms,noco))
CALL timestart("gen. of hamil. and diag. (total)")
CALL timestart("eigen")
......
......@@ -42,11 +42,12 @@ CONTAINS
this%l_io=l_io
END SUBROUTINE forcetheo_start
LOGICAL FUNCTION forcetheo_next_job(this,lastiter,noco)
LOGICAL FUNCTION forcetheo_next_job(this,lastiter,atoms,noco)
USE m_types_setup
IMPLICIT NONE
CLASS(t_forcetheo),INTENT(INOUT):: this
LOGICAL,INTENT(IN) :: lastiter
LOGICAL,INTENT(IN) :: lastiter
TYPE(t_atoms),INTENT(IN) :: atoms
!Stuff that might be modified...
TYPE(t_noco),INTENT(INOUT) :: noco
forcetheo_next_job=this%firstloop
......
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