MoDeNa
1.0
Software framework facilitating sequential multi-scale modelling
|
This file contains the residual function of the density functional theory calculation. More...
#include <finclude/petscsys.h>
#include <finclude/petscvec.h>
#include <finclude/petscvec.h90>
#include <finclude/petscdmda.h>
#include <finclude/petscdmda.h90>
#include <finclude/petscis.h>
#include <finclude/petscsnes.h>
#include <finclude/petscsnes.h90>
Go to the source code of this file.
Functions/Subroutines | |
subroutine | formfunction (snes, X, F, user, ierr) |
The subroutine FormFunction is a wrapper function which takes care of handling the global PETSc data structures and creates local copys for every processor. It then calls the subroutine FormFunctionLocal which performs the actual calculation of the residual at every grid point. | |
subroutine | formfunctionlocal (rhop, f, user, ierr) |
This subroutine performs the local evaluation of the residual function. It calls the subroutines which calculate the different contributions to the Helmholtz energy functional. | |
This file contains the residual function of the density functional theory calculation.
Definition in file Function.F90.