mirror of https://gitlab.com/QEF/q-e.git
33 lines
696 B
Fortran
33 lines
696 B
Fortran
! Find atomic symbol and atomic mass for current atom from the list
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!
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character*4 Atom(100), dummy, dummy1,dummy2, dummy3, dummy4
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real*8 amass(100)
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read(5,*) N
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! read(5,'(a,a,a,a,a,a,a,a,a,a)') (Atom(i), i=1,N)
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read(5,'(10a)') (Atom(i), i=1,N)
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read(5,*) (amass(i), i=1,N)
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open(1,file='atom_name')
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read(1,'(a4)') dummy
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dummy1=' '//dummy
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dummy2=' '//dummy
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dummy3=' '//dummy
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dummy4=' '//dummy//' '
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do i=1,N
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if(Atom(i).eq.dummy.or.Atom(i).eq.dummy1.or. &
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& Atom(i).eq.dummy2.or.Atom(i).eq.dummy3.or.Atom(i).eq.dummy4) then
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write(6,'(f10.4)') amass(i)
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stop
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endif
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enddo
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close(1)
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stop 'equivalent atomic symbols are not found '
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end
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