00001 // 00002 // linkage.h 00003 // 00004 // Copyright (C) 1997 Limit Point Systems, Inc. 00005 // 00006 // Author: Curtis Janssen <cljanss@limitpt.com> 00007 // Maintainer: LPS 00008 // 00009 // This file is part of the SC Toolkit. 00010 // 00011 // The SC Toolkit is free software; you can redistribute it and/or modify 00012 // it under the terms of the GNU Library General Public License as published by 00013 // the Free Software Foundation; either version 2, or (at your option) 00014 // any later version. 00015 // 00016 // The SC Toolkit is distributed in the hope that it will be useful, 00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00019 // GNU Library General Public License for more details. 00020 // 00021 // You should have received a copy of the GNU Library General Public License 00022 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to 00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. 00024 // 00025 // The U.S. Government is granted a limited license as per AL 91-7. 00026 // 00027 00028 #ifndef _chemistry_qc_dft_linkage_h 00029 #define _chemistry_qc_dft_linkage_h 00030 00031 #ifndef __PIC__ 00032 00033 #include <chemistry/qc/dft/clks.h> 00034 #include <chemistry/qc/dft/uks.h> 00035 #include <chemistry/qc/dft/hsosks.h> 00036 #include <chemistry/qc/dft/integrator.h> 00037 #include <chemistry/qc/dft/functional.h> 00038 00039 static ForceLink<RadialAngularIntegrator> dft_force_link_a_; 00040 static ForceLink<NElFunctional> dft_force_link_b_; 00041 static ForceLink<XalphaFunctional> dft_force_link_c_; 00042 static ForceLink<SlaterXFunctional> dft_force_link_d_; 00043 static ForceLink<Becke88XFunctional> dft_force_link_e_; 00044 static ForceLink<LYPCFunctional> dft_force_link_f_; 00045 static ForceLink<CLKS> dft_force_link_h_; 00046 static ForceLink<UKS> dft_force_link_i_; 00047 static ForceLink<VWN5LCFunctional> dft_force_link_j_; 00048 static ForceLink<VWN3LCFunctional> dft_force_link_k_; 00049 static ForceLink<PW92LCFunctional> dft_force_link_l_; 00050 static ForceLink<PBEXFunctional> dft_force_link_m_; 00051 static ForceLink<PBECFunctional> dft_force_link_n_; 00052 static ForceLink<P86CFunctional> dft_force_link_o_; 00053 static ForceLink<PW91XFunctional> dft_force_link_p_; 00054 static ForceLink<PW86XFunctional> dft_force_link_q_; 00055 static ForceLink<PZ81LCFunctional> dft_force_link_r_; 00056 static ForceLink<G96XFunctional> dft_force_link_s_; 00057 static ForceLink<VWN1LCFunctional> dft_force_link_t_; 00058 static ForceLink<VWN2LCFunctional> dft_force_link_u_; 00059 static ForceLink<VWN4LCFunctional> dft_force_link_v_; 00060 static ForceLink<PW91CFunctional> dft_force_link_w_; 00061 static ForceLink<HSOSKS> dft_force_link_x_; 00062 static ForceLink<VWNLCFunctional> dft_force_link_y_; 00063 static ForceLink<NewP86CFunctional> dft_force_link_z_; 00064 00065 #endif /* __PIC__ */ 00066 00067 #endif