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pair_lj_charmm_coul_charmm_cuda_cu.h
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Created
Fri, Sep 6, 12:23
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1 KB
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text/x-c
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Sun, Sep 8, 12:23 (2 d)
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blob
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rLAMMPS lammps
pair_lj_charmm_coul_charmm_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"
extern
"C"
void
Cuda_PairLJCharmmCoulCharmmCuda
(
cuda_shared_data
*
sdata
,
cuda_shared_neighlist
*
sneighlist
,
int
eflag
,
int
vflag
,
int
eflag_atom
,
int
vflag_atom
,
F_FLOAT
denom_lj
,
F_FLOAT
cut_coul_innersq
,
F_FLOAT
denom_coul
);
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