pair_morse_cuda_kernel_nc.cu
860bca7d5e5dlammm-master

pair_morse_cuda_kernel_nc.cu
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator

			Original Version:
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

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

			-----------------------------------------------------------------------

			USER-CUDA Package and associated modifications:
			https://sourceforge.net/projects/lammpscuda/

			Christian Trott, christian.trott@tu-ilmenau.de
			Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
			Theoretical Physics II, University of Technology Ilmenau, Germany

			See the README file in the USER-CUDA directory.

			This software is distributed under the GNU General Public License.
			------------------------------------------------------------------------- */
			__device__ inline F_FLOAT PairMorseCuda_Eval(const F_FLOAT& rsq,const int ij_type,F_FLOAT& factor_lj,int& eflag, ENERGY_FLOAT& evdwl)
			{
			const F_FLOAT r = _SQRT_(rsq);
			const F_FLOAT dr = r-_r0[ij_type];
			const F_FLOAT dexp = _EXP_(-_alpha[ij_type]*dr);
			if(eflag) evdwl += factor_lj(_d0[ij_type](dexpdexp-F_F(2.0)dexp)
			- _offset[ij_type]);
			return factor_lj_morse1[ij_type](dexpdexp-dexp)(F_F(1.0)/r);
			}