int main(int argc,char **args)
{
PetscViewer viewer;
PetscErrorCode ierr;
PetscViewerFormat format;
ierr = PetscInitialize(&argc,&args,(char*)0,help);if (ierr) return ierr;
ierr = PetscOptionsGetViewer(PETSC_COMM_WORLD,NULL,NULL,"-myviewer",&viewer,&format,NULL);CHKERRQ(ierr);
ierr = PetscViewerPushFormat(viewer,format);CHKERRQ(ierr);
ierr = PetscViewerView(viewer,PETSC_VIEWER_STDOUT_WORLD);CHKERRQ(ierr);
ierr = PetscViewerPopFormat(viewer);CHKERRQ(ierr);
ierr = PetscViewerDestroy(&viewer);CHKERRQ(ierr);
ierr = PetscFinalize();
return ierr;
}
int main(int argc, char **args) {
PetscErrorCode ierr;
MPI_Comm comm = PETSC_COMM_SELF;
H2 h2;
ierr = SlepcInitialize(&argc, &args, (char*)0, help); CHKERRQ(ierr);
#if defined(PETSC_USE_COMPLEX)
PetscPrintf(comm, "Scalar: complex\n");
#else
PetscPrintf(comm, "Scalar: real\n");
#endif
PrintTimeStamp(comm, "Create", NULL);
ierr = H2Create(&h2); CHKERRQ(ierr);
PrintTimeStamp(comm, "Set", NULL);
ierr = H2SetFromOptions(h2); CHKERRQ(ierr);
PrintTimeStamp(comm, "View", NULL);
OCE2View(h2->oce, h2->viewer);
if(h2->init_view)
PetscViewerView(h2->init_view, h2->viewer);
for(int i = 0; i < h2->num_bondlength; i++) {
PrintTimeStamp(comm, "Set H", NULL);
PetscPrintf(comm, "bond_length = %f\n", h2->bondlength);
ierr = H2SetH(h2); CHKERRQ(ierr);
PrintTimeStamp(comm, "eps", NULL);
ierr = H2Solve(h2); CHKERRQ(ierr);
h2->bondlength += h2->d_bondlength;
}
PrintTimeStamp(comm, "Finalize", NULL);
ierr = H2Destroy(&h2); CHKERRQ(ierr);
ierr = SlepcFinalize(); CHKERRQ(ierr);
return 0;
}
