siesta.f90

 
!*******************************************************************************
!
!  Note separating the Doxygen comment block here so detailed decription is
!  found in the Module not the file.
!
!*******************************************************************************
!*******************************************************************************
!  MAIN PROGRAM
!*******************************************************************************
!-------------------------------------------------------------------------------
!-------------------------------------------------------------------------------
      PROGRAM siesta
      USE siesta_run
      USE mpi_inc
      USE siesta_namelist, ONLY: lrestart
 
      IMPLICIT NONE
 
!  Local variables
      TYPE (siesta_run_class), POINTER :: context => null()
 
!  Local parameters
#if defined(MPI_OPT)
      INTEGER, PARAMETER               :: run_comm = mpi_comm_world
#else
      INTEGER, PARAMETER               :: run_comm = 0
#endif
 
!  Start of executable code.
!  Create a context and read the SIESTA namelist input file.
      context => siesta_run_construct(run_comm, .true.)
 
!  Check the restart flag in from the namelist input. If true, restart from an
!  existing restart file. Otherwise initalize from a VMEC file.
      IF (lrestart) THEN
         CALL siesta_run_set_restart(context)
      ELSE
         CALL siesta_run_set_vmec(context)
      END IF
 
      CALL siesta_run_converge(context)
      CALL siesta_run_destruct(context, .true., .true.)
 
      END PROGRAM siesta
 
     ! siesta_run_set_vmec 
     ! -> init_metric_elements(in metrics)
     ! -> grid_extender(in grid_extension)
     ! siesta_run_converge
     ! -> run_pchelms