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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/
H A Dlal_base_dipole.h50 int init_atomic(const int nlocal, const int nall, const int max_nbors,
74 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
75 nbor->resize(inum,max_nbors,success); in resize_local()
86 const int max_nbors, bool &success) { in resize_local() argument
87 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
95 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_atomic.h51 int init_atomic(const int nlocal, const int nall, const int max_nbors,
72 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
73 nbor->resize(inum,max_nbors,success); in resize_local()
84 const int max_nbors, bool &success) { in resize_local() argument
85 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
93 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_charge.h52 int init_atomic(const int nlocal, const int nall, const int max_nbors,
75 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
76 nbor->resize(inum,max_nbors,success); in resize_local()
87 const int max_nbors, bool &success) { in resize_local() argument
88 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
96 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_three.h53 int init_three(const int nlocal, const int nall, const int max_nbors,
78 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
79 nbor->resize(inum,max_nbors,success); in resize_local()
90 const int max_nbors, bool &success) { in resize_local() argument
91 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
99 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_gauss.cpp41 int GaussT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
50 const int nall, const int max_nbors, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_soft.cpp41 int SoftT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
49 const int nall, const int max_nbors, in init() argument
53 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_yukawa.cpp41 int YukawaT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
50 const int nall, const int max_nbors, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_coul_dsf.cpp42 int CoulDSFT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
43 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
48 const int max_nbors, const int maxspecial, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_coul_long.cpp41 int CoulLongT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
46 int CoulLongT::init(const int nlocal, const int nall, const int max_nbors, in init() argument
52 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size, in init()
/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/
H A Dlal_base_charge.h55 int init_atomic(const int nlocal, const int nall, const int max_nbors,
79 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
80 nbor->resize(inum,max_nbors,success); in resize_local()
91 const int max_nbors, bool &success) { in resize_local() argument
92 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
100 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_dpd.h52 int init_atomic(const int nlocal, const int nall, const int max_nbors,
76 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
77 nbor->resize(inum,max_nbors,success); in resize_local()
88 const int max_nbors, bool &success) { in resize_local() argument
89 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
97 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_atomic.h53 int init_atomic(const int nlocal, const int nall, const int max_nbors,
75 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
76 nbor->resize(inum,max_nbors,success); in resize_local()
87 const int max_nbors, bool &success) { in resize_local() argument
88 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
96 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_dipole.h52 int init_atomic(const int nlocal, const int nall, const int max_nbors,
76 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
77 nbor->resize(inum,max_nbors,success); in resize_local()
88 const int max_nbors, bool &success) { in resize_local() argument
89 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
97 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_base_three.h57 int init_three(const int nlocal, const int nall, const int max_nbors,
85 inline void resize_local(const int inum, const int max_nbors, bool &success) { in resize_local() argument
86 nbor->resize(inum,max_nbors,success); in resize_local()
97 const int max_nbors, bool &success) { in resize_local() argument
98 nbor->resize(inum,host_inum,max_nbors,success); in resize_local()
106 int bytes_per_atom_atomic(const int max_nbors) const;
H A Dlal_tersoff.cpp41 int TersoffT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors)+max_nbors*sizeof(acctyp)*4; in bytes_per_atom()
46 int TersoffT::init(const int ntypes, const int nlocal, const int nall, const int max_nbors, in init() argument
83 success=this->init_three(nlocal,nall,max_nbors,0,cell_size,gpu_split, in init()
93 if (this->nbor->max_nbors()) { in init()
94 _zetaij.alloc(ef_nall*this->nbor->max_nbors(),*(this->ucl_device), in init()
96 _zetaij_eng.alloc(ef_nall*this->nbor->max_nbors(),*(this->ucl_device), in init()
263 if (nall*this->nbor->max_nbors() > _zetaij.cols()) { in loop()
267 success = success && (_zetaij.alloc(this->nbor->max_nbors()*_nmax, in loop()
270 success = success && (_zetaij_eng.alloc(this->nbor->max_nbors()*_nmax, in loop()
H A Dlal_tersoff_mod.cpp41 int TersoffMT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors)+max_nbors*sizeof(acctyp)*4; in bytes_per_atom()
46 int TersoffMT::init(const int ntypes, const int nlocal, const int nall, const int max_nbors, in init() argument
82 success=this->init_three(nlocal,nall,max_nbors,0,cell_size,gpu_split, in init()
93 if (this->nbor->max_nbors()) in init()
94 _zetaij.alloc(ef_nall*this->nbor->max_nbors(),*(this->ucl_device), in init()
256 if (nall*this->nbor->max_nbors() > _zetaij.cols()) { in loop()
259 success = success && (_zetaij.alloc(this->nbor->max_nbors()*_nmax, in loop()
H A Dlal_coul_dsf.cpp42 int CoulDSFT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
43 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
48 const int max_nbors, const int maxspecial, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_yukawa.cpp41 int YukawaT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
50 const int nall, const int max_nbors, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_tersoff_zbl.cpp41 int TersoffZT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors)+max_nbors*sizeof(acctyp)*4; in bytes_per_atom()
47 const int max_nbors, const double cell_size, in init() argument
89 success=this->init_three(nlocal,nall,max_nbors,0,cell_size,gpu_split, in init()
100 if (this->nbor->max_nbors()) in init()
101 _zetaij.alloc(ef_nall*this->nbor->max_nbors(),*(this->ucl_device), in init()
280 if (nall*this->nbor->max_nbors() > _zetaij.cols()) { in loop()
283 success = success && (_zetaij.alloc(this->nbor->max_nbors()*_nmax, in loop()
H A Dlal_lj96.cpp41 int LJ96T::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
51 const int nall, const int max_nbors, in init() argument
55 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_lj_sdk.cpp41 int CGCMMT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
51 const int nall, const int max_nbors, in init() argument
55 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_beck.cpp41 int BeckT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
51 const int nall, const int max_nbors, in init() argument
55 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_morse.cpp41 int MorseT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
51 const int nall, const int max_nbors, in init() argument
55 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_gauss.cpp41 int GaussT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
50 const int nall, const int max_nbors, in init() argument
54 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()
H A Dlal_mie.cpp41 int MieT::bytes_per_atom(const int max_nbors) const { in bytes_per_atom()
42 return this->bytes_per_atom_atomic(max_nbors); in bytes_per_atom()
51 const int nlocal, const int nall, const int max_nbors, in init() argument
55 success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, in init()

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