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Improved error message, macro handling at error
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discus/prog/fourier.f90

Lines changed: 6 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -637,7 +637,11 @@ SUBROUTINE fourier
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! start the Fourier transform 'run'
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!
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ELSEIF (str_comp (befehl, 'run ', 2, lbef, 4) ) then
640-
IF(ilots/=LOT_OFF .AND. & ! Lots will be used
640+
if(cr_natoms<1) then
641+
ier_num = -198
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ier_typ = ER_APPL
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ier_msg(1) = 'No fourier will be calculated'
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elseIF(ilots/=LOT_OFF .AND. & ! Lots will be used
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cr_natoms /= cr_icc(1)*cr_icc(2)*cr_icc(3)*cr_ncatoms) THEN
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ier_num = -162
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ier_typ = ER_APPL
@@ -1029,7 +1033,7 @@ SUBROUTINE fourier
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RETURN
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ELSE
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IF(lmacro_close) THEN
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CALL macro_close
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CALL macro_close(-1)
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prompt_status = PROMPT_ON
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ENDIF
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ENDIF

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