Rev 7692 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
| Rev 7692 | Rev 13594 | ||
|---|---|---|---|
| Line 1... | Line 1... | ||
| 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 |