root / src / Path.valid @ 2
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1 | 1 | equemene | # This file contains the option used by the valid subroutine |
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2 | 1 | equemene | # This file is read at each run of the program, so that you can easily |
3 | 1 | equemene | # add or remove some options. |
4 | 1 | equemene | # The structure of this file is the followin |
5 | 1 | equemene | # Comment lines MUST start by a #. The rest of the line is dismissed |
6 | 1 | equemene | # by the program |
7 | 1 | equemene | # The program is not sensitive to the case of the lines |
8 | 1 | equemene | # For lines that are not comments, the program expects to read first |
9 | 1 | equemene | # the value of the option and then the option. |
10 | 1 | equemene | # For example : F DEBUG GEOSTEP |
11 | 1 | equemene | # The first letter of the value should be f or t (the . is dismissed) |
12 | 1 | equemene | # If the option is * then all the REMAINING lines are read, and their |
13 | 1 | equemene | # values are put to the value of '*'. |
14 | 1 | equemene | #F * |
15 | 1 | equemene | T Read_geom |
16 | 1 | equemene | T DMRGRNK |
17 | 1 | equemene | T valid |
18 | 1 | equemene | F PathCreate |
19 | 1 | equemene | T Hupdate |
20 | 1 | equemene | T Hess |
21 | 1 | equemene | T Main |
22 | 1 | equemene | F Spline |
23 | 1 | equemene | F Splinder |
24 | 1 | equemene | F Splint |
25 | 1 | equemene | F Step_RFO |
26 | 1 | equemene | F PrintTangent |
27 | 1 | equemene | F CalcRmsd |
28 | 1 | equemene | T ztocd |
29 | 1 | equemene | T ggc2gz |
30 | 1 | equemene | F geostep |
31 | 1 | equemene | F mling |
32 | 1 | equemene | F Add2indzmat |
33 | 1 | equemene | F PrintGeom |
34 | 1 | equemene | T Egrad |
35 | 1 | equemene | T EGRAD_baker |
36 | 1 | equemene | T EGRAD_test |
37 | 1 | equemene | T EGRAD_mopac |
38 | 1 | equemene | T EGradPath |
39 | 1 | equemene | F Calc_baker |
40 | 1 | equemene | F Calc_zmat |
41 | 1 | equemene | F Extrapol_baker |
42 | 1 | equemene | F Calc_baker_allGeomF |
43 | 1 | equemene | F ConvertBakerInternal_cart |
44 | 1 | equemene | F Ginvse |
45 | 1 | equemene | #T * |
46 | 1 | equemene | F Calc_zmat_constr_frag |
47 | 1 | equemene | F CalcTangent |