mirror of https://gitlab.com/QEF/q-e.git
Update cube.f90. Write correct atomic numbers in the CUBE output
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@ -28,7 +28,7 @@ SUBROUTINE write_cubefile ( alat, at, bg, nat, tau, atm, ityp, rho, &
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IMPLICIT NONE
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IMPLICIT NONE
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INTEGER, INTENT(IN):: nat, ityp(nat), ounit, nr1,nr2,nr3, nr1x,nr2x,nr3x
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INTEGER, INTENT(IN):: nat, ityp(nat), ounit, nr1,nr2,nr3, nr1x,nr2x,nr3x
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CHARACTER(len=6), INTENT(IN) :: atm(*)
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CHARACTER(len=*), INTENT(IN) :: atm(*)
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REAL(DP), INTENT(IN) :: alat, tau(3,nat), at(3,3),bg(3,3), rho(nr1x,nr2x,nr3x)
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REAL(DP), INTENT(IN) :: alat, tau(3,nat), at(3,3),bg(3,3), rho(nr1x,nr2x,nr3x)
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! --
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! --
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INTEGER :: i, nt, i1, i2, i3, at_num
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INTEGER :: i, nt, i1, i2, i3, at_num
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