root / src / Path.valid
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# This file contains the option used by the valid subroutine |
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# This file is read at each run of the program, so that you can easily |
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# add or remove some options. |
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# The structure of this file is the followin |
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# Comment lines MUST start by a #. The rest of the line is dismissed |
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# by the program |
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# The program is not sensitive to the case of the lines |
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# For lines that are not comments, the program expects to read first |
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# the value of the option and then the option. |
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# For example : F DEBUG GEOSTEP |
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# The first letter of the value should be f or t (the . is dismissed) |
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# If the option is * then all the REMAINING lines are read, and their |
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# values are put to the value of '*'. |
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#F * |
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T Read_geom |
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T DMRGRNK |
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T valid |
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F PathCreate |
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T Hupdate |
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T Hess |
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T Main |
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F Spline |
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F Splinder |
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F Splint |
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F Step_RFO |
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F PrintTangent |
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F CalcRmsd |
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T ztocd |
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T ggc2gz |
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F geostep |
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F mling |
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F Add2indzmat |
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F PrintGeom |
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T Egrad |
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T EGRAD_baker |
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T EGRAD_test |
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T EGRAD_mopac |
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T EGradPath |
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F Calc_baker |
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F Calc_zmat |
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F Extrapol_baker |
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F Calc_baker_allGeomF |
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F ConvertBakerInternal_cart |
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F Ginvse |
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#T * |
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F Calc_zmat_constr_frag |
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F CalcTangent |