mirror of https://github.com/LCPQ/DEHam
21 lines
606 B
Fortran
21 lines
606 B
Fortran
subroutine conv(ideter,det,deth)
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implicit none
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BEGIN_DOC
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! this routine converts a detrminant in the old
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! format into the new one and returns the determinant.
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END_DOC
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integer,INTENT(INOUT)::ideter(natomax)
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integer(kind=selected_int_kind(16)),INTENT(INOUT)::det
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integer(kind=selected_int_kind(16)),INTENT(INOUT)::deth
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integer::i
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det=0
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deth=0
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do i=1,natom
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if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then
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det=IBSET(det,i-1)
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elseif(ideter(natom-i+1).eq.3)then
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deth=IBSET(deth,i-1)
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endif
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enddo
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end
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