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Rev 7692 Rev 12961
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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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N2 0
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N2 O\
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N,2;O\
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C 2, O\
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P Br Cl2
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!exit
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!exit
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:proc
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:proc
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Antimoine,51,Sb,121.75,1380,630.5,6.62,46.6,4.74,0.026,0.05\
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Antimoine,51,Sb,121.75,1380,630.5,6.62,46.6,4.74,0.026,0.05\
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Scandium,21,Sc,44.956,2730,1539,3,81,3.8,0.015,0.015\
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Scandium,21,Sc,44.956,2730,1539,3,81,3.8,0.015,0.015\
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Selenium,34,Se,78.96,685,217,4.79,3.34,1.25,0.08,1e-05 \
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Selenium,34,Se,78.96,685,217,4.79,3.34,1.25,0.08,1e-05 \
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Silicium,14,Si,28.086,2680,1410,2.33,40.6,11.1,.1,.2 \
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Silicium,14,Si,28.086,2680,1410,2.33,40.6,11.1,.1,.2 \
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Samarium,62,Sm,150.35,1900,1072,7.54,46,2.1,0.011,--\
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Samarium,62,Sm,150.35,1900,1072,7.54,46,2.1,0.011,--\
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Etain,50,Sn,118.69,2270,231.9,7.3,70,1.72,0.088,.16  \
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Etain,50,Sn,118.69,2270,231.9,7.3,70,1.72,0.088,.16\
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Strontium,38,Sr,87.62,1380,768,2.6,33.8,2.1,0.043,--\
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Strontium,38,Sr,87.62,1380,768,2.6,33.8,2.1,0.043,--\
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Tantalum,73,Ta,180.948,5425,2996,16.6,180,6.8,0.081,.13\
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Tantalum,73,Ta,180.948,5425,2996,16.6,180,6.8,0.081,.13\
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Terbium,65,Tb,158.924,2800,1356,8.27,70,3.9,0.009,-- \
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Terbium,65,Tb,158.924,2800,1356,8.27,70,3.9,0.009,-- \
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Technetium,43,Tc,96.9062,,,,,,,\
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Technetium,43,Tc,96.9062,,,,,,,\
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Tellure,52,Te,127.60,,,,,,,  \
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Tellure,52,Te,127.60,,,,,,,\
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Thorium,90,Th,232.038,3850,1750,11.7,--,4.6,0.055,--\
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Thorium,90,Th,232.038,3850,1750,11.7,--,4.6,0.055,--\
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Titane,22,Ti,47.9,3260,1668,4.51,106.5,3.7,0.024,--  \
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Titane,22,Ti,47.9,3260,1668,4.51,106.5,3.7,0.024,--\
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Thallium,81,Tl,204.37,1457,303,11.85,38.8,1.02,0.055,0.093\
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Thallium,81,Tl,204.37,1457,303,11.85,38.8,1.02,0.055,0.093\
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Thulium,69,Tm,168.934,1727,1545,9.33,59,4.4,0.011,-- \
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Thulium,69,Tm,168.934,1727,1545,9.33,59,4.4,0.011,-- \
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Uranium,92,U,238.03,3818,1132,19.07,110,2.7,0.034,0.064\
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Uranium,92,U,238.03,3818,1132,19.07,110,2.7,0.034,0.064\
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Vanadium,23,V,50.942,3450,1900,6.1,106,4.2,0.04,--\
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Vanadium,23,V,50.942,3450,1900,6.1,106,4.2,0.04,--\
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Tungstène,74,W,183.85,5930,3410,19.3,185,8.05,.181,.4\
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Tungstène,74,W,183.85,5930,3410,19.3,185,8.05,.181,.4\
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Zinc,30,Zn,65.37,906,419.5,7.14,27.4,1.76,.167,.27\
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Zinc,30,Zn,65.37,906,419.5,7.14,27.4,1.76,.167,.27\
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Zirconium,40,Zr,91.22,3580,1852,6.49,120,4,0.024,--
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Zirconium,40,Zr,91.22,3580,1852,6.49,120,4,0.024,--
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slib_data=$wims_read_parm
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slib_data=$wims_read_parm
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 !!transforme la donnée en une liste des atomes composant
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!!transforme la donnée en une liste des atomes composant
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 avec un numero
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avec un numero
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!! données = H2,O  ou H,2;O  ou H2 O
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!! données = H2,O ou H,2;O ou H2 O
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slib_data=!singlespace $slib_data
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slib_data=!singlespace $slib_data
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slib_data=!declosing $slib_data
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slib_data=!declosing $slib_data
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slib_data=!translate internal ; to $\
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slib_data=!translate internal ; to $\
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$ in $slib_data
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$ in $slib_data
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slib_data=!nonempty lines $slib_data
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slib_data=!nonempty lines $slib_data
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slib_cnt=!linecnt $slib_data
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slib_cnt=!linecnt $slib_data
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!if $slib_cnt=1
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!if $slib_cnt=1
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slib_data=!translate internal , to $\
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  slib_data=!translate internal , to $\
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$ in $slib_data
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  $ in $slib_data
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!endif
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!endif
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slib_cnt=!linecnt $slib_data
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slib_cnt=!linecnt $slib_data
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!if $slib_cnt=1
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!if $slib_cnt=1
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slib_data=!words2lines $slib_data
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  slib_data=!words2lines $slib_data
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!endif
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!endif
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slib_cnt=!linecnt $slib_data
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slib_cnt=!linecnt $slib_data
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slib_data=!trim $slib_data
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slib_data=!trim $slib_data
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slib_out=
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slib_out=
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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_mol=!line $slib_i of $slib_data
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  slib_mol=!line $slib_i of $slib_data
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slib_name=!replace  [0-9] by $  in $slib_mol
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  slib_name=!replace [0-9] by $ in $slib_mol
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slib_name=!nonempty item $slib_name
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  slib_name=!nonempty item $slib_name
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slib_number= !replace [a-zA-Z] by $ in $slib_mol
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  slib_number= !replace [a-zA-Z] by $ in $slib_mol
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slib_number=!nonempty item $slib_number
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  slib_number=!nonempty item $slib_number
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!if $slib_number=$empty
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  !if $slib_number=$empty
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slib_number=1
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    slib_number=1
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!endif
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  !endif
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slib_pos=!positionof  item $slib_name  in $slib_element
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  slib_pos=!positionof item $slib_name in $slib_element
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slib_pos=$[floor($slib_pos/10)+1]
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  slib_pos=$[floor($slib_pos/10)+1]
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slib_line=!line $slib_pos of $slib_element
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  slib_line=!line $slib_pos of $slib_element
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slib_out=!append line $slib_number,$slib_line to $slib_out
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  slib_out=!append line $slib_number,$slib_line to $slib_out
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!next slib_i
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!next slib_i
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$slib_out=
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$slib_out=
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