File: intgrtflags.com

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#ifndef _INTGRTFLAGS_COM_
#define _INTGRTFLAGS_COM_

c This contains flags that are set in the INTGRT namelist.  See the
c file initintgrt.F for a description of each of them.
c
c The following are exceptions:
c    int_ks           : .true. if we are doing Kohn-Sham
c    int_ks_finaliter : .true. if this is the final iteration of KS
c    int_ks_exch      : which potential to use to calculate exchange
c    int_ks_corr      : which potential to use to calculate correlation
c    int_kspot        : which hybrid functional to use to calculate potential
c                       (if equal to fun_special, use int_ks_exch and
c                       int_ks_corr)
c    int_dft_fun      : which functional to use with any SCF density
c                       Added and modified by Stan Ivanov
c                       (if fun_special the functional is user-defined
c                        if fun_hyb_name then use hybrid functional) 
c    int_printlev     : 0 if we are doing a dft calculation, 1 if we
c                       are doing the final iteration of a KS calculation,
c                       2 if we are doing a KS iteration.
c These are set in the calling routines, NOT in the namelist.
c                     : Additions by S. Ivanov
c     num_acc_ks      : .true.  if numerical accelerator is used for KS 
c                        Default is .true.
c     ks_exact_ex     : .true. if exact LOCAL exchange is used for KS
c                        Deafult is .false.
c     int_tdks        : .true. if time-dependent KS calculation is
c                        requested
c                        Default is .false.
c     int_ks_scf      : .true. if the actual KS SCF energy is being
c                        calculated and printed out. Default is .false.
c
      integer int_numradpts,int_radtyp,int_partpoly,int_radscal,
     &    int_parttyp,int_fuzzyiter,int_defenegrid,int_defenetype,
     &    int_defpotgrid,int_defpottype,int_kspot,
     &    int_ks_exch,int_ks_corr,int_dft_fun,

     &    int_printlev,
     &    int_printscf,int_printint,int_printsize,int_printatom,
     &    int_printmos,int_printocc,
     &    potradpts, numauxbas,int_ksmem,int_overlp

      logical int_ks,num_acc_ks,ks_exact_ex,int_tdks,int_ks_scf,
     &        int_ks_finaliter

      M_REAL
     &    int_radlimit,coef_pot_nonlocal

      common /intgrtflags/  int_numradpts,int_radtyp,int_partpoly,
     &    int_radscal,int_parttyp,int_fuzzyiter,int_defenegrid,
     &    int_defenetype,int_defpotgrid,int_defpottype,int_kspot,
     &    int_ks_exch,int_ks_corr,int_dft_fun,

     &    int_printlev,
     &    int_printscf,int_printint,int_printsize,int_printatom,
     &    int_ks_finaliter,int_printmos,int_printocc,
     &    potradpts, numauxbas,int_ksmem,int_overlp
c

c  prakash added int_ksmem to the common block
      common /intgrtflagsd/ int_radlimit,coef_pot_nonlocal
      common /intgrtflagsl/ int_ks,num_acc_ks,ks_exact_ex,int_tdks,
     &                      int_ks_scf

      save /intgrtflags/
      save /intgrtflagsl/
      save /intgrtflagsd/

c The following are parameters used in the namelist

      integer int_prt_never,int_prt_dft,int_prt_ks,int_prt_always
      parameter (int_prt_never   =1)
      parameter (int_prt_dft     =2)
      parameter (int_prt_ks      =3)
      parameter (int_prt_always  =4)

      integer int_radtyp_handy,int_radtyp_gl
      parameter (int_radtyp_handy=1)
      parameter (int_radtyp_gl   =2)

      integer int_partpoly_equal,int_partpoly_bsrad,
     &    int_partpoly_dynamic
      parameter (int_partpoly_equal  =1)
      parameter (int_partpoly_bsrad  =2)
      parameter (int_partpoly_dynamic=3)

      integer int_radscal_none,int_radscal_slater
      parameter (int_radscal_none  =1)
      parameter (int_radscal_slater=2)

      integer int_parttyp_rigid,int_parttyp_fuzzy
      parameter (int_parttyp_rigid=1)
      parameter (int_parttyp_fuzzy=2)

      integer int_gridtype_leb
      parameter (int_gridtype_leb=1)

#endif /* _INTGRTFLAGS_COM_ */