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!if $wims_read_parm!=slib_header
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!if $wims_read_parm!=slib_header
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 !goto proc
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  !goto proc
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!endif
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!endif
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slib_author=Bernadette, Perrin-Riou
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slib_author=Bernadette, Perrin-Riou
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slib_example= H2\
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slib_example= H2\
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C H4
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C H4
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!exit
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!exit
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:proc
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:proc
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-
 
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!readproc slib/chemistry/molecule $wims_read_parm
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!readproc slib/chemistry/molecule $wims_read_parm
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slib_molecule= $slib_out
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slib_molecule= $slib_out
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slib_cnt=!linecnt $slib_molecule
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slib_cnt=!linecnt $slib_molecule
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slib_out=0
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slib_out=0
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!for slib_i=1 to $slib_cnt
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!for slib_i=1 to $slib_cnt
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slib_line=!line $slib_i of $slib_molecule
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  slib_line=!line $slib_i of $slib_molecule
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!distribute item $slib_line into slib_number, slib_name, slib_Z, slib_symbol, slib_masse
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  !distribute item $slib_line into slib_number, slib_name, slib_Z, slib_symbol, slib_masse
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slib_out=$[$slib_out+$slib_number*$slib_masse]
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  slib_out=$[$slib_out+$slib_number*$slib_masse]
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!next slib_i
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!next slib_i