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Rev 7692 | Rev 13594 | ||
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1 | !if $wims_read_parm!=slib_header |
1 | !if $wims_read_parm!=slib_header |
2 | !goto proc |
2 | !goto proc |
3 | !endif |
3 | !endif |
4 | 4 | ||
5 | slib_author=Bernadette, Perrin-Riou |
5 | slib_author=Bernadette, Perrin-Riou |
6 | 6 | ||
7 | slib_example= H2\ |
7 | slib_example= H2\ |
8 | C H4 |
8 | C H4 |
9 | 9 | ||
10 | !exit |
10 | !exit |
11 | 11 | ||
12 | :proc |
12 | :proc |
13 | - | ||
14 | 13 | ||
15 | !readproc slib/chemistry/molecule $wims_read_parm |
14 | !readproc slib/chemistry/molecule $wims_read_parm |
16 | slib_molecule= $slib_out |
15 | slib_molecule= $slib_out |
17 | slib_cnt=!linecnt $slib_molecule |
16 | slib_cnt=!linecnt $slib_molecule |
18 | slib_out=0 |
17 | slib_out=0 |
19 | !for slib_i=1 to $slib_cnt |
18 | !for slib_i=1 to $slib_cnt |
20 | slib_line=!line $slib_i of $slib_molecule |
19 | slib_line=!line $slib_i of $slib_molecule |
21 | 20 | ||
22 | !distribute item $slib_line into slib_number, slib_name, slib_Z, slib_symbol, slib_masse |
21 | !distribute item $slib_line into slib_number, slib_name, slib_Z, slib_symbol, slib_masse |
23 | slib_out=$[$slib_out+$slib_number*$slib_masse] |
22 | slib_out=$[$slib_out+$slib_number*$slib_masse] |
24 | !next slib_i |
23 | !next slib_i |