(@INIT_OPTG-target)= # @INIT_OPTG Initialize a geometry optimization. ## @INIT_OPTG Go to @INIT_OPTG node. The engine performs any initialization operations that are necessary before a geometry optimization can be performed, proceeding to the @INIT_OPTG node. :::{admonition} Note :class: caution This command may change the engine's atomic coordinates under certain circumstances, such as if the SHAKE algorithm is used. ::: ### Examples ::::{tab-set} :::{tab-item} Python :sync: python ```python import mdi # connect to the engine mdi_engine = mdi.MDI_Accept_Communicator() # initialize a geometry optimization. mdi.MDI_Send_Command("@INIT_OPTG", mdi_engine) ``` ::: :::{tab-item} C++ :sync: cpp ```cpp #include "mdi.h" // connect to the engine MDI_Comm mdi_engine = MDI_Accept_Communicator(); // initialize a geometry optimization. MDI_Send_Command("@INIT_OPTG", mdi_engine); ``` ::: ::::