Line data    Source code

       1             : /**********************************************************************/
       2             : /*                     DO NOT MODIFY THIS HEADER                      */
       3             : /* MAGPIE - Mesoscale Atomistic Glue Program for Integrated Execution */
       4             : /*                                                                    */
       5             : /*            Copyright 2017 Battelle Energy Alliance, LLC            */
       6             : /*                        ALL RIGHTS RESERVED                         */
       7             : /**********************************************************************/
       8             : 
       9             : #pragma once
      10             : 
      11             : #include "mytrim/material.h"
      12             : #include "mytrim/element.h"
      13             : 
      14             : /**
      15             :  * MyTRIM material class that stores element indices as tags
      16             :  */
      17     1417540 : class MooseMyTRIMMaterial : public MyTRIM_NS::MaterialBase
      18             : {
      19             : public:
      20             :   MooseMyTRIMMaterial(MyTRIM_NS::SimconfType * simconf);
      21             : 
      22             :   virtual const MyTRIM_NS::Element & getElement(unsigned int nn);
      23             : 
      24             :   /**
      25             :    * Calculate the density rho by multiplying the fractions t with the atomic weight
      26             :    * and dividing by the site volume.
      27             :    * This needs to be called before prepare, as prepare renormalizes the fractions
      28             :    * to sum up to one. However we are assuming the fraction difference to one to be
      29             :    * the fraction of unoccupied sites.
      30             :    */
      31             :   virtual void calculateDensity(Real site_volume);
      32             : };