Parameters_GNEB ========================= .. code-block:: C #include "Spirit/Parameters_GNEB.h" Image Type -------------------------------------------------------------------- .. doxygendefine:: GNEB_IMAGE_NORMAL 0 .. doxygendefine:: GNEB_IMAGE_CLIMBING 1 .. doxygendefine:: GNEB_IMAGE_FALLING 2 .. doxygendefine:: GNEB_IMAGE_STATIONARY 3 Set Output -------------------------------------------------------------------- .. doxygenfunction:: Parameters_GNEB_Set_Output_Tag .. doxygenfunction:: Parameters_GNEB_Set_Output_Folder .. doxygenfunction:: Parameters_GNEB_Set_Output_General .. doxygenfunction:: Parameters_GNEB_Set_Output_Energies .. doxygenfunction:: Parameters_GNEB_Set_Output_Chain Set Parameters -------------------------------------------------------------------- .. doxygenfunction:: Parameters_GNEB_Set_N_Iterations .. doxygenfunction:: Parameters_GNEB_Set_Convergence .. doxygenfunction:: Parameters_GNEB_Set_Spring_Constant .. doxygenfunction:: Parameters_GNEB_Set_Spring_Force_Ratio .. doxygenfunction:: Parameters_GNEB_Set_Path_Shortening_Constant .. doxygenfunction:: Parameters_GNEB_Set_Moving_Endpoints .. doxygenfunction:: Parameters_GNEB_Set_Translating_Endpoints .. doxygenfunction:: Parameters_GNEB_Set_Equilibrium_Delta_Rx .. doxygenfunction:: Parameters_GNEB_Set_Climbing_Falling .. doxygenfunction:: Parameters_GNEB_Set_Image_Type_Automatically .. doxygenfunction:: Parameters_GNEB_Set_N_Energy_Interpolations Get Output -------------------------------------------------------------------- .. doxygenfunction:: Parameters_GNEB_Get_Output_Tag .. doxygenfunction:: Parameters_GNEB_Get_Output_Folder .. doxygenfunction:: Parameters_GNEB_Get_Output_General .. doxygenfunction:: Parameters_GNEB_Get_Output_Energies .. doxygenfunction:: Parameters_GNEB_Get_Output_Chain .. doxygenfunction:: Parameters_GNEB_Get_N_Iterations Set Parameters -------------------------------------------------------------------- .. doxygenfunction:: Parameters_GNEB_Get_Convergence .. doxygenfunction:: Parameters_GNEB_Get_Spring_Constant .. doxygenfunction:: Parameters_GNEB_Get_Spring_Force_Ratio .. doxygenfunction:: Parameters_GNEB_Get_Path_Shortening_Constant .. doxygenfunction:: Parameters_GNEB_Get_Moving_Endpoints .. doxygenfunction:: Parameters_GNEB_Get_Translating_Endpoints .. doxygenfunction:: Parameters_GNEB_Get_Equilibrium_Delta_Rx .. doxygenfunction:: Parameters_GNEB_Get_Climbing_Falling .. doxygenfunction:: Parameters_GNEB_Get_N_Energy_Interpolations