pppm_cg_omp.h
1eb5be159143efficient_neuronet

pppm_cg_omp.h
View Options

			/* -- c++ -- ----------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			Copyright (2003) Sandia Corporation. Under the terms of Contract
			DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
			certain rights in this software. This software is distributed under
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			#ifdef KSPACE_CLASS

			KSpaceStyle(pppm/cg/omp,PPPMCGOMP)

			#else

			#ifndef LMP_PPPM_CG_OMP_H
			#define LMP_PPPM_CG_OMP_H

			#include "pppm_cg.h"
			#include "thr_omp.h"

			namespace LAMMPS_NS {

			class PPPMCGOMP : public PPPMCG, public ThrOMP {
			public:
			PPPMCGOMP(class LAMMPS , int, char *);
			virtual ~PPPMCGOMP () {};
			virtual void compute(int, int);

			protected:
			virtual void allocate();
			virtual void deallocate();

			virtual void compute_gf_ik();
			virtual void compute_gf_ad();

			virtual void make_rho();
			virtual void fieldforce_ik();
			virtual void fieldforce_ad();
			virtual void fieldforce_peratom();

			private:
			void compute_rho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
			const FFT_SCALAR &, const FFT_SCALAR &);
			void compute_drho1d_thr(FFT_SCALAR * const * const, const FFT_SCALAR &,
			const FFT_SCALAR &, const FFT_SCALAR &);
			};

			}

			#endif
			#endif