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pair_sw_cuda_cu.h
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Tue, Nov 19, 07:53
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Thu, Nov 21, 07:53 (1 d, 23 h)
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rLAMMPS lammps
pair_sw_cuda_cu.h
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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.
------------------------------------------------------------------------- */
#include "cuda_shared.h"
struct
ParamSW_Float
{
F_FLOAT
epsilon
,
sigma
;
F_FLOAT
littlea
,
lambda
,
gamma
,
costheta
;
F_FLOAT
biga
,
bigb
;
F_FLOAT
powerp
,
powerq
;
F_FLOAT
tol
;
F_FLOAT
cut
,
cutsq
;
F_FLOAT
sigma_gamma
,
lambda_epsilon
,
lambda_epsilon2
;
F_FLOAT
c1
,
c2
,
c3
,
c4
,
c5
,
c6
;
int
ielement
,
jelement
,
kelement
;
};
extern
"C"
void
Cuda_PairSWCuda_Init
(
cuda_shared_data
*
sdata
,
ParamSW_Float
*
params_host
,
void
*
map_host
,
void
*
elem2param_host
,
int
nelements_h
);
extern
"C"
void
Cuda_PairSWCuda
(
cuda_shared_data
*
sdata
,
cuda_shared_neighlist
*
sneighlist
,
int
eflag
,
int
vflag
,
int
eflag_atom
,
int
vflag_atom
);
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