Hello, I'm not a C/C++ programmer and I have question that I'm sure has been asked before. So sorry. <br><br>I would like to pass the atomic coordinates and forces to a fortran routine and then pass the coordinates and forces back after computing something and modifying forces. (Yes, during dynamics.) I have added a fortran routine that works, I can pass some things, like the step number, to it and it seems ok. I cannot figure out how to handle state_global->x and the force vector. <br>
<br>How should "x" be passed to fortran?<br><br>I am using something like:<br>fortranfunc_(&step , $state->x ); <br><br>but I'm not sure about this since the contents of "x" on the fortran side seem odd.<br>
<br>I have tried to dig this from old posts and general C/C++ tutorials but I've hit a wall. <br><br>thanks for any advice,<br>brad<br>