| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_gayberne.cpp | 83 host_write[i]=0.0; in init()
107 host_write[0]=static_cast<numtyp>(gamma); in init()
109 host_write[2]=static_cast<numtyp>(mu); in init()
125 host_write[i*4]=host_shape[i][0]; in init()
126 host_write[i*4+1]=host_shape[i][1]; in init()
127 host_write[i*4+2]=host_shape[i][2]; in init()
130 view4.view(host_write,shape.numel()); in init()
135 host_write[i*4]=host_well[i][0]; in init()
136 host_write[i*4+1]=host_well[i][1]; in init()
137 host_write[i*4+2]=host_well[i][2]; in init()
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| H A D | lal_re_squared.cpp | 80 host_write[i]=0.0; in init()
104 host_write[0]=static_cast<numtyp>(host_special_lj[0]); in init()
108 ucl_copy(special_lj,host_write,4,false); in init()
114 host_write[i*4]=host_shape[i][0]; in init()
115 host_write[i*4+1]=host_shape[i][1]; in init()
116 host_write[i*4+2]=host_shape[i][2]; in init()
119 view4.view(host_write,shape.numel()); in init()
124 host_write[i*4]=host_well[i][0]; in init()
125 host_write[i*4+1]=host_well[i][1]; in init()
126 host_write[i*4+2]=host_well[i][2]; in init()
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| H A D | lal_lj_coul_long.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
86 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
91 host_write[i]=host_special_lj[i]; in init()
92 host_write[i+4]=host_special_coul[i]; in init()
94 ucl_copy(sp_lj,host_write,8,false); in init()
110 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
114 host_write[i]=0.0; in reinit()
116 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
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| H A D | lal_lj_expand_coul_long.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
86 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
91 host_write[i]=host_special_lj[i]; in init()
92 host_write[i+4]=host_special_coul[i]; in init()
94 ucl_copy(sp_lj,host_write,8,false); in init()
110 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
114 host_write[i]=0.0; in reinit()
116 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
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| H A D | lal_born_coul_long_cs.cpp | 60 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
64 host_write[i]=0.0; in init()
67 this->atom->type_pack4(ntypes,lj_types,this->coeff1,host_write,host_rhoinv, in init()
71 this->atom->type_pack4(ntypes,lj_types,this->coeff2,host_write,host_a,host_c, in init()
75 this->atom->type_pack4(ntypes,lj_types,this->cutsq_sigma,host_write,host_cutsq, in init()
80 host_write[i]=host_special_lj[i]; in init()
81 host_write[i+4]=host_special_coul[i]; in init()
83 ucl_copy(this->sp_lj,host_write,8,false); in init()
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| H A D | lal_born_coul_wolf_cs.cpp | 60 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
64 host_write[i]=0.0; in init()
67 this->atom->type_pack4(ntypes,lj_types,this->coeff1,host_write,host_rhoinv, in init()
71 this->atom->type_pack4(ntypes,lj_types,this->coeff2,host_write,host_a,host_c, in init()
75 this->atom->type_pack4(ntypes,lj_types,this->cutsq_sigma,host_write,host_cutsq, in init()
80 host_write[i]=host_special_lj[i]; in init()
81 host_write[i+4]=host_special_coul[i]; in init()
83 ucl_copy(this->sp_lj,host_write,8,false); in init()
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| H A D | lal_lj_smooth.cpp | 86 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
90 host_write[i]=0.0; in init()
93 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
97 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
101 this->atom->type_pack4(ntypes,lj_types,ljsw,host_write,host_ljsw1,host_ljsw2, in init()
105 this->atom->type_pack2(ntypes,lj_types,ljsw0,host_write,host_ljsw0,cut_inner); in init()
125 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
129 host_write[i]=0.0; in reinit()
131 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
133 this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4, in reinit()
[all …]
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| H A D | lal_coul_debye.cpp | 70 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
74 host_write[i]=0.0; in init()
77 this->atom->type_pack1(ntypes,lj_types,scale,host_write,host_scale); in init()
80 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
84 host_write[i]=host_special_coul[i]; in init()
86 ucl_copy(sp_cl,host_write,4,false); in init()
99 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
103 host_write[i]=0.0; in reinit()
105 this->atom->type_pack1(ntypes,_lj_types,scale,host_write,host_scale); in reinit()
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| H A D | lal_coul.cpp | 70 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
74 host_write[i]=0.0; in init()
77 this->atom->type_pack1(ntypes,lj_types,scale,host_write,host_scale); in init()
80 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
84 host_write[i]=host_special_coul[i]; in init()
86 ucl_copy(sp_cl,host_write,4,false); in init()
98 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
102 host_write[i]=0.0; in reinit()
104 this->atom->type_pack1(ntypes,_lj_types,scale,host_write,host_scale); in reinit()
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| H A D | lal_born.cpp | 71 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
75 host_write[i]=0.0; in init()
78 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
82 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
86 this->atom->type_pack2(ntypes,lj_types,cutsq_sigma,host_write,host_cutsq, in init()
107 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
111 host_write[i]=0.0; in reinit()
113 this->atom->type_pack4(ntypes,_lj_types,coeff1,host_write,host_rhoinv, in reinit()
115 this->atom->type_pack4(ntypes,_lj_types,coeff2,host_write,host_a,host_c, in reinit()
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| H A D | lal_buck.cpp | 70 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
74 host_write[i]=0.0; in init()
77 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
81 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
100 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
104 host_write[i]=0.0; in reinit()
106 this->atom->type_pack4(ntypes,_lj_types,coeff1,host_write,host_rhoinv, in reinit()
108 this->atom->type_pack4(ntypes,_lj_types,coeff2,host_write,host_a,host_c, in reinit()
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| H A D | lal_lj_coul.cpp | 74 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
78 host_write[i]=0.0; in init()
81 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
85 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
89 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
93 host_write[i]=host_special_lj[i]; in init()
94 host_write[i+4]=host_special_coul[i]; in init()
96 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_lj_expand.cpp | 71 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
75 host_write[i]=0.0; in init()
78 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
82 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
102 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
106 host_write[i]=0.0; in reinit()
108 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
111 this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4, in reinit()
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| H A D | lal_ufm.cpp | 73 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
77 host_write[i]=0.0; in init()
80 this->atom->type_pack4(ntypes,lj_types,uf1,host_write,host_uf1,host_uf2, in init()
84 this->atom->type_pack4(ntypes,lj_types,uf3,host_write,host_uf3,host_uf2, in init()
101 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit() local
105 host_write[i]=0.0; in reinit()
107 this->atom->type_pack4(ntypes,_lj_types,uf1,host_write,host_uf1,host_uf2, in reinit()
109 this->atom->type_pack4(ntypes,_lj_types,uf3,host_write,host_uf3,host_uf2, in reinit()
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| H A D | lal_born_coul_long.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
86 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
90 this->atom->type_pack4(ntypes,lj_types,cutsq_sigma,host_write,host_cutsq, in init()
95 host_write[i]=host_special_lj[i]; in init()
96 host_write[i+4]=host_special_coul[i]; in init()
98 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_dipole_lj.cpp | 74 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
78 host_write[i]=0.0; in init()
81 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
85 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
89 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
93 host_write[i]=host_special_lj[i]; in init()
94 host_write[i+4]=host_special_coul[i]; in init()
96 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_dipole_long_lj.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
86 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
90 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
94 host_write[i]=host_special_lj[i]; in init()
95 host_write[i+4]=host_special_coul[i]; in init()
97 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_lj_coul_debye.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
86 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
90 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
94 host_write[i]=host_special_lj[i]; in init()
95 host_write[i+4]=host_special_coul[i]; in init()
97 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_buck_coul.cpp | 72 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
76 host_write[i]=0.0; in init()
79 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
83 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
87 this->atom->type_pack4(ntypes,lj_types,cutsq,host_write,host_cutsq, in init()
92 host_write[i]=host_special_lj[i]; in init()
93 host_write[i+4]=host_special_coul[i]; in init()
95 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_buck_coul_long.cpp | 74 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
78 host_write[i]=0.0; in init()
81 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
85 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
89 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
93 host_write[i]=host_special_lj[i]; in init()
94 host_write[i+4]=host_special_coul[i]; in init()
96 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_born_coul_wolf.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
86 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
90 this->atom->type_pack4(ntypes,lj_types,cutsq_sigma,host_write,host_cutsq, in init()
95 host_write[i]=host_special_lj[i]; in init()
96 host_write[i+4]=host_special_coul[i]; in init()
98 ucl_copy(sp_lj,host_write,8,false); in init()
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| H A D | lal_dipole_lj_sf.cpp | 74 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
78 host_write[i]=0.0; in init()
81 this->atom->type_pack4(ntypes,lj_types,lj1,host_write,host_lj1,host_lj2, in init()
85 this->atom->type_pack4(ntypes,lj_types,lj3,host_write,host_lj3,host_lj4, in init()
89 this->atom->type_pack1(ntypes,lj_types,cutsq,host_write,host_cutsq); in init()
93 host_write[i]=host_special_lj[i]; in init()
94 host_write[i+4]=host_special_coul[i]; in init()
96 ucl_copy(sp_lj,host_write,8,false); in init()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/ |
| H A D | lal_gayberne.cpp | 83 host_write[i]=0.0; in init()
107 host_write[0]=static_cast<numtyp>(gamma); in init()
108 host_write[1]=static_cast<numtyp>(upsilon); in init()
109 host_write[2]=static_cast<numtyp>(mu); in init()
114 ucl_copy(gamma_upsilon_mu,host_write,7,false); in init()
125 host_write[i*4]=host_shape[i][0]; in init()
126 host_write[i*4+1]=host_shape[i][1]; in init()
127 host_write[i*4+2]=host_shape[i][2]; in init()
135 host_write[i*4]=host_well[i][0]; in init()
136 host_write[i*4+1]=host_well[i][1]; in init()
[all …]
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| H A D | lal_re_squared.cpp | 80 host_write[i]=0.0; in init()
104 host_write[0]=static_cast<numtyp>(host_special_lj[0]); in init()
105 host_write[1]=static_cast<numtyp>(host_special_lj[1]); in init()
106 host_write[2]=static_cast<numtyp>(host_special_lj[2]); in init()
108 ucl_copy(special_lj,host_write,4,false); in init()
114 host_write[i*4]=host_shape[i][0]; in init()
115 host_write[i*4+1]=host_shape[i][1]; in init()
116 host_write[i*4+2]=host_shape[i][2]; in init()
124 host_write[i*4]=host_well[i][0]; in init()
125 host_write[i*4+1]=host_well[i][1]; in init()
[all …]
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| H A D | lal_born_coul_long.cpp | 75 UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device), in init() local
79 host_write[i]=0.0; in init()
82 this->atom->type_pack4(ntypes,lj_types,coeff1,host_write,host_rhoinv, in init()
86 this->atom->type_pack4(ntypes,lj_types,coeff2,host_write,host_a,host_c, in init()
90 this->atom->type_pack4(ntypes,lj_types,cutsq_sigma,host_write,host_cutsq, in init()
95 host_write[i]=host_special_lj[i]; in init()
96 host_write[i+4]=host_special_coul[i]; in init()
98 ucl_copy(sp_lj,host_write,8,false); in init()
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