DEHam/src/conv.irp.f

subroutine conv(ideter,deti,dethi)
    use iso_c_binding
    implicit none
    BEGIN_DOC
    ! this routine converts a detrminant in the old
    ! format into the new one and returns the determinant.
    END_DOC
    integer,INTENT(INOUT)::ideter(natomax)
    integer(C_SIZE_T),INTENT(INOUT)::deti
    integer(C_SIZE_T),INTENT(INOUT)::dethi
    integer::i
    deti=0
    dethi=0
    do i=1,natom
        if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then
            deti=IBSET(deti,i-1)
        elseif(ideter(natom-i+1).eq.3)then
            dethi=IBSET(dethi,i-1)
        endif
    enddo
end
updating code to the current local version, it might not compile atm. Many new features added: 1. getting S2 values 2. possibility of setting position of hole 3. possibility of setting Sbox 4. three Sbox definitions at once 5. Doing only FAM1 or the full set of states 6. efficiency improvements 2018-01-27 12:41:48 +01:00			`subroutine conv(ideter,deti,dethi)`
looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00			`use iso_c_binding`
initial commit 2016-12-19 23:26:16 +01:00			`implicit none`
			`BEGIN_DOC`
			`! this routine converts a detrminant in the old`
			`! format into the new one and returns the determinant.`
			`END_DOC`
			`integer,INTENT(INOUT)::ideter(natomax)`
looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00			`integer(C_SIZE_T),INTENT(INOUT)::deti`
			`integer(C_SIZE_T),INTENT(INOUT)::dethi`
initial commit 2016-12-19 23:26:16 +01:00			`integer::i`
updating code to the current local version, it might not compile atm. Many new features added: 1. getting S2 values 2. possibility of setting position of hole 3. possibility of setting Sbox 4. three Sbox definitions at once 5. Doing only FAM1 or the full set of states 6. efficiency improvements 2018-01-27 12:41:48 +01:00			`deti=0`
			`dethi=0`
initial commit 2016-12-19 23:26:16 +01:00			`do i=1,natom`
			`if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then`
updating code to the current local version, it might not compile atm. Many new features added: 1. getting S2 values 2. possibility of setting position of hole 3. possibility of setting Sbox 4. three Sbox definitions at once 5. Doing only FAM1 or the full set of states 6. efficiency improvements 2018-01-27 12:41:48 +01:00			`deti=IBSET(deti,i-1)`
initial commit 2016-12-19 23:26:16 +01:00			`elseif(ideter(natom-i+1).eq.3)then`
updating code to the current local version, it might not compile atm. Many new features added: 1. getting S2 values 2. possibility of setting position of hole 3. possibility of setting Sbox 4. three Sbox definitions at once 5. Doing only FAM1 or the full set of states 6. efficiency improvements 2018-01-27 12:41:48 +01:00			`dethi=IBSET(dethi,i-1)`
initial commit 2016-12-19 23:26:16 +01:00			`endif`
			`enddo`
			`end`