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As we discussed, EXSIE is called at every cycle for every element. Thus, in EXSIE you need to
- Get the X/Y/Z of the element based upon the element index (INOW, JNOW, KNOW or IJKNOW),
- Read this 800,000 lines files, locate the lines based upon the X/Y/Z from #1 and obtain their corresponding energy.
- Calculate the deposited energy by interpolating the energy from #2.Â
Since the program has to read the 800000 line file at every cycle and every element, this may take additional CPU time.
If you can simplify the energy distribution by an analytical expression of X/Y/Z coordinates, you can calculate the deposited energy with the equation, rather than read 800000 lines for every element, that will save running time significantly.
The density and pressure will be calculated by the subroutines that are corresponding to the EOS. For example, if Ideal-Gas EOS is used, density and pressure will be calculated in the subroutine of Ideal Gas EOS.Â
If you want to customize the density & pressure calculation, you need to edit the user-subroutine mdeos_user_1.f90. You may not need to edit the EXSIE. You can deposit the energy in the mdeos_user_1.f90.