init_guga_testsuite Subroutine

public subroutine init_guga_testsuite()

Arguments

None

Source Code

    subroutine init_guga_testsuite
        integer(int64) :: umatsize
        integer :: nBasisMax(5, 3), lms, stot
        real(dp) :: ecore

        umatsize = 0
        nel = 4
        nbasis = 8
        nSpatOrbs = 4
        stot = 0
        lms = 0
        tGUGA = .true.

        call init_bit_rep()

        fcidump_name = "FCIDUMP"
        UMatEps = 1.0e-8
        tStoreSpinOrbs = .false.
        tTransGTID = .false.
        tReadFreeFormat = .true.


        call dSFMT_init(8)

        call SetCalcDefaults()
        call SetSysDefaults()
        tReadInt = .true.

        call generate_uniform_integrals()

        get_umat_el => get_umat_el_normal

        call initfromfcid(nel, nbasismax, nBasis, lms, .false.)

        call GetUMatSize(nBasis, umatsize)

        allocate (TMat2d(nBasis, nBasis))

        call shared_allocate_mpi(umat_win, umat, (/umatsize/))

        call readfciint(UMat, umat_win, nBasis, ecore)
        call SysInit()
        ! required: set up the spin info

        call DetInit()
        call DetCalcInit()
        ! call SpinOrbSymSetup()

        call DetPreFreezeInit()

        call CalcInit()
    end subroutine init_guga_testsuite