root / src / Path.valid
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| 1 | 1 | pfleura2 | # This file contains the option used by the valid subroutine |
|---|---|---|---|
| 2 | 1 | pfleura2 | # This file is read at each run of the program, so that you can easily |
| 3 | 1 | pfleura2 | # add or remove some options. |
| 4 | 1 | pfleura2 | # The structure of this file is the followin |
| 5 | 1 | pfleura2 | # Comment lines MUST start by a #. The rest of the line is dismissed |
| 6 | 1 | pfleura2 | # by the program |
| 7 | 1 | pfleura2 | # The program is not sensitive to the case of the lines |
| 8 | 1 | pfleura2 | # For lines that are not comments, the program expects to read first |
| 9 | 1 | pfleura2 | # the value of the option and then the option. |
| 10 | 1 | pfleura2 | # For example : F DEBUG GEOSTEP |
| 11 | 1 | pfleura2 | # The first letter of the value should be f or t (the . is dismissed) |
| 12 | 1 | pfleura2 | # If the option is * then all the REMAINING lines are read, and their |
| 13 | 1 | pfleura2 | # values are put to the value of '*'. |
| 14 | 1 | pfleura2 | #F * |
| 15 | 1 | pfleura2 | T Read_geom |
| 16 | 1 | pfleura2 | T DMRGRNK |
| 17 | 1 | pfleura2 | T valid |
| 18 | 1 | pfleura2 | F PathCreate |
| 19 | 1 | pfleura2 | T Hupdate |
| 20 | 1 | pfleura2 | T Hess |
| 21 | 1 | pfleura2 | T Main |
| 22 | 1 | pfleura2 | F Spline |
| 23 | 1 | pfleura2 | F Splinder |
| 24 | 1 | pfleura2 | F Splint |
| 25 | 1 | pfleura2 | F Step_RFO |
| 26 | 1 | pfleura2 | F PrintTangent |
| 27 | 1 | pfleura2 | F CalcRmsd |
| 28 | 1 | pfleura2 | T ztocd |
| 29 | 1 | pfleura2 | T ggc2gz |
| 30 | 1 | pfleura2 | F geostep |
| 31 | 1 | pfleura2 | F mling |
| 32 | 1 | pfleura2 | F Add2indzmat |
| 33 | 1 | pfleura2 | F PrintGeom |
| 34 | 1 | pfleura2 | T Egrad |
| 35 | 1 | pfleura2 | T EGRAD_baker |
| 36 | 1 | pfleura2 | T EGRAD_test |
| 37 | 1 | pfleura2 | T EGRAD_mopac |
| 38 | 1 | pfleura2 | T EGradPath |
| 39 | 1 | pfleura2 | F Calc_baker |
| 40 | 1 | pfleura2 | F Calc_zmat |
| 41 | 1 | pfleura2 | F Extrapol_baker |
| 42 | 1 | pfleura2 | F Calc_baker_allGeomF |
| 43 | 1 | pfleura2 | F ConvertBakerInternal_cart |
| 44 | 1 | pfleura2 | F Ginvse |
| 45 | 1 | pfleura2 | #T * |
| 46 | 1 | pfleura2 | F Calc_zmat_constr_frag |
| 47 | 1 | pfleura2 | F CalcTangent |