std::string message = gmx::formatString(
"pme_order (%d) is larger than the maximum allowed value (%d). Modify and recompile the code if you really need such a high order.",
pme_order, PME_ORDER_MAX);
- GMX_THROW(InconsistentInputError(message));
+ GMX_THROW(gmx::InconsistentInputError(message));
}
const int minGridSize = minimalPmeGridSize(pme_order);
std::string message = gmx::formatString(
"The PME grid sizes need to be >= 2*(pme_order-1) (%d)",
minGridSize);
- GMX_THROW(InconsistentInputError(message));
+ GMX_THROW(gmx::InconsistentInputError(message));
}
/* Check for a limitation of the (current) sum_fftgrid_dd code.
fprintf(debug, "Creating PME data structures.\n");
}
- unique_cptr<gmx_pme_t, gmx_pme_destroy> pme(new gmx_pme_t());
+ gmx::unique_cptr<gmx_pme_t, gmx_pme_destroy> pme(new gmx_pme_t());
pme->sum_qgrid_tmp = nullptr;
pme->sum_qgrid_dd_tmp = nullptr;