diff --git a/include/gauxc/gauxc_config.f.in b/include/gauxc/gauxc_config.f.in index df1dd76b..292d8462 100644 --- a/include/gauxc/gauxc_config.f.in +++ b/include/gauxc/gauxc_config.f.in @@ -10,6 +10,7 @@ #cmakedefine GAUXC_HAS_CUTLASS #cmakedefine GAUXC_HAS_GAU2GRID #cmakedefine GAUXC_HAS_HDF5 +#cmakedefine GAUXC_HAS_ONEDFT #cmakedefine GAUXC_USE_FAST_RSQRT #ifdef GAUXC_HAS_HOST diff --git a/src/fortran-api/xc_integrator.f90 b/src/fortran-api/xc_integrator.f90 index 8d792b34..9d186580 100644 --- a/src/fortran-api/xc_integrator.f90 +++ b/src/fortran-api/xc_integrator.f90 @@ -27,9 +27,11 @@ module gauxc_integrator & gauxc_integrator_eval_exc_gks, & & gauxc_integrator_eval_exc_vxc_rks, & & gauxc_integrator_eval_exc_vxc_uks, & + & gauxc_integrator_eval_exc_vxc_onedft_uks, & & gauxc_integrator_eval_exc_vxc_gks, & & gauxc_integrator_eval_exc_grad_rks, & & gauxc_integrator_eval_exc_grad_uks, & + & gauxc_integrator_eval_exc_grad_onedft_uks, & & gauxc_integrator_eval_exx_rks, & & gauxc_integrator_eval_fxc_contraction_rks, & & gauxc_integrator_eval_fxc_contraction_uks