{
fprintf(fp, "%s\n", title);
- for (i = 0; i < cmap_grid->ngrid; i++)
+ for (i = 0; i < static_cast<int>(cmap_grid->cmapdata.size()); i++)
{
idx = -180.0;
fprintf(fp, "%8s %8s %8s %8s\n", "V", "dVdx", "dVdy", "d2dV");
idef->il[f].nr = 0;
idef->il[f].nr_nonperturbed = 0;
}
- idef->cmap_grid.cmapdata = nullptr;
+ idef->cmap_grid = nullptr;
idef->iparams_posres_nalloc = 0;
idef->iparams_fbposres_nalloc = 0;
idef->ilsort = 0;
sfree(idef->il[f].iatoms);
}
- sfree(idef->cmap_grid.cmapdata);
+ delete idef->cmap_grid;
init_idef(idef);
}