| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_lj_smooth.cpp | 83 _lj_types=lj_types; in init()
125 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
128 for (int i=0; i<_lj_types*_lj_types; i++) 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()
135 this->atom->type_pack4(ntypes,_lj_types,ljsw,host_write,host_ljsw1,host_ljsw2, in reinit()
137 this->atom->type_pack2(ntypes,_lj_types,ljsw0,host_write,host_ljsw0,cut_inner); in reinit()
182 this->k_pair.run(&this->atom->x, &lj1, &lj3, &ljsw, &ljsw0, &_lj_types, &sp_lj, in loop()
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| H A D | lal_buck.cpp | 67 _lj_types=lj_types; in init()
100 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
103 for (int i=0; i<_lj_types*_lj_types; i++) 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()
151 this->k_pair.run(&this->atom->x, &coeff1, &coeff2, &_lj_types, &sp_lj, in loop()
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| H A D | lal_lj_expand.cpp | 68 _lj_types=lj_types; in init()
102 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
105 for (int i=0; i<_lj_types*_lj_types; i++) 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()
154 this->k_pair.run(&this->atom->x, &lj1, &lj3, &_lj_types, &sp_lj, in loop()
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| H A D | lal_ufm.cpp | 70 _lj_types=lj_types; in init()
101 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
104 for (int i=0; i<_lj_types*_lj_types; i++) 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()
152 this->k_pair.run(&this->atom->x, &uf1, &uf3, &_lj_types, &sp_lj, in loop()
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| H A D | lal_born.cpp | 68 _lj_types=lj_types; in init()
107 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
110 for (int i=0; i<_lj_types*_lj_types; i++) 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()
161 &cutsq_sigma, &_lj_types, &sp_lj, in loop()
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| H A D | lal_lj.cpp | 83 _lj_types=lj_types; in init()
115 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
118 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
121 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
123 this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4, in reinit()
166 this->k_pair.run(&this->atom->x, &lj1, &lj3, &_lj_types, &sp_lj, in loop()
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| H A D | lal_lj_coul_long.cpp | 72 _lj_types=lj_types; in init()
110 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
113 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
116 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
118 this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4, in reinit()
163 &_lj_types, &sp_lj, &this->nbor->dev_nbor, in loop()
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| H A D | lal_lj_expand_coul_long.cpp | 72 _lj_types=lj_types; in init()
110 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
113 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
116 this->atom->type_pack4(ntypes,_lj_types,lj1,host_write,host_lj1,host_lj2, in reinit()
118 this->atom->type_pack4(ntypes,_lj_types,lj3,host_write,host_lj3,host_lj4, in reinit()
163 &_lj_types, &sp_lj, &this->nbor->dev_nbor, in loop()
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| H A D | lal_gauss.cpp | 67 _lj_types=lj_types; in init()
95 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
98 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
101 this->atom->type_pack4(ntypes,_lj_types,gauss1,host_write,host_a,host_b, in reinit()
142 this->k_pair.run(&this->atom->x, &gauss1, &_lj_types, in loop()
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| H A D | lal_soft.cpp | 66 _lj_types=lj_types; in init()
94 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
97 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
100 this->atom->type_pack4(ntypes,_lj_types,coeff,host_write,host_prefactor, in reinit()
141 this->k_pair.run(&this->atom->x, &coeff, &_lj_types, &sp_lj, in loop()
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| H A D | lal_coul_debye.cpp | 67 _lj_types=lj_types; in init()
99 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
102 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
105 this->atom->type_pack1(ntypes,_lj_types,scale,host_write,host_scale); in reinit()
147 this->k_pair.run(&this->atom->x, &scale, &_lj_types, &sp_cl, in loop()
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| H A D | lal_coul.cpp | 67 _lj_types=lj_types; in init()
98 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in reinit()
101 for (int i=0; i<_lj_types*_lj_types; i++) in reinit()
104 this->atom->type_pack1(ntypes,_lj_types,scale,host_write,host_scale); in reinit()
146 this->k_pair.run(&this->atom->x, &scale, &_lj_types, &sp_cl, in loop()
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| H A D | lal_re_squared.cpp | 73 _lj_types=lj_types; in init()
190 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
197 &this->sigma_epsilon, &this->_lj_types, in loop()
207 ELLIPSE_SPHERE,_shared_types,_lj_types); in loop()
214 &this->sigma_epsilon, &this->_lj_types, in loop()
238 SPHERE_ELLIPSE,SPHERE_ELLIPSE,_shared_types,_lj_types); in loop()
245 &this->sigma_epsilon, &this->_lj_types, in loop()
280 &this->_lj_types, &this->special_lj, &stride, in loop()
293 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
299 &this->sigma_epsilon, &this->_lj_types, in loop()
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| H A D | lal_coul_long.cpp | 65 _lj_types=lj_types; in init()
94 UCL_H_Vec<numtyp> hscale(_lj_types*_lj_types,*(this->ucl_device), in reinit()
96 this->atom->type_pack1(ntypes,_lj_types,scale,hscale,host_scale); in reinit()
138 this->k_pair.run(&this->atom->x, &scale, &_lj_types, &sp_cl, in loop()
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| H A D | lal_gayberne.cpp | 76 _lj_types=lj_types; in init()
201 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
208 &this->sigma_epsilon, &this->_lj_types, in loop()
234 SPHERE_ELLIPSE,SPHERE_ELLIPSE,_shared_types,_lj_types); in loop()
242 &this->sigma_epsilon, &this->_lj_types, in loop()
278 &this->_lj_types, &this->gamma_upsilon_mu, &stride, in loop()
292 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
298 &this->sigma_epsilon, &this->_lj_types, &this->lshape, in loop()
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| H A D | lal_dpd.cpp | 84 _lj_types=lj_types; in init()
155 this->k_pair.run(&this->atom->x, &coeff, &_lj_types, &sp_lj, in loop()
170 UCL_H_Vec<numtyp> host_write(_lj_types*_lj_types*32,*(this->ucl_device), in update_coeff()
172 this->atom->type_pack4(ntypes,_lj_types,coeff,host_write,host_a0,host_gamma, in update_coeff()
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| H A D | lal_sw.cpp | 53 _lj_types=ntypes; in init()
163 this->k_short_nbor.run(&this->atom->x, &cutsq, &_lj_types, in loop()
175 &_lj_types, &this->nbor->dev_nbor, in loop()
189 &sw_pre3, &_lj_types, &this->nbor->dev_nbor, in loop()
197 &_lj_types, &this->nbor->dev_nbor, in loop()
208 &_lj_types, &this->nbor->dev_nbor, in loop()
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| H A D | lal_table.cpp | 96 _lj_types=lj_types; in init()
326 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
334 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
342 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
350 &nmask, &coeff2, &coeff3, &coeff4, &_lj_types, in loop()
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| H A D | lal_coul_dsf.cpp | 72 _lj_types=lj_types; in init()
132 this->k_pair.run(&this->atom->x, &_lj_types, &sp_lj, in loop()
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| H A D | lal_yukawa.cpp | 67 _lj_types=lj_types; in init()
130 this->k_pair.run(&this->atom->x, &coeff, &_kappa, &_lj_types, &sp_lj, in loop()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/ |
| H A D | lal_re_squared.cpp | 73 _lj_types=lj_types; in init()
200 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
207 &this->sigma_epsilon, &this->_lj_types, in loop()
217 ELLIPSE_SPHERE,_shared_types,_lj_types); in loop()
224 &this->sigma_epsilon, &this->_lj_types, in loop()
248 SPHERE_ELLIPSE,SPHERE_ELLIPSE,_shared_types,_lj_types); in loop()
255 &this->sigma_epsilon, &this->_lj_types, in loop()
290 &this->_lj_types, &this->special_lj, &stride, in loop()
303 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
309 &this->sigma_epsilon, &this->_lj_types, in loop()
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| H A D | lal_gayberne.cpp | 76 _lj_types=lj_types; in init()
212 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
219 &this->sigma_epsilon, &this->_lj_types, in loop()
245 SPHERE_ELLIPSE,SPHERE_ELLIPSE,_shared_types,_lj_types); in loop()
253 &this->sigma_epsilon, &this->_lj_types, in loop()
289 &this->_lj_types, &this->gamma_upsilon_mu, &stride, in loop()
303 ELLIPSE_ELLIPSE,_shared_types,_lj_types); in loop()
309 &this->sigma_epsilon, &this->_lj_types, &this->lshape, in loop()
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| H A D | lal_table.cpp | 82 _lj_types=lj_types; in init()
304 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
312 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
320 &coeff4, &_lj_types, &cutsq, &sp_lj, in loop()
328 &nmask, &coeff2, &coeff3, &coeff4, &_lj_types, in loop()
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| H A D | lal_gauss.cpp | 67 _lj_types=lj_types; in init()
138 this->k_pair.run(&this->atom->x, &gauss1, &_lj_types, &sp_lj, in loop()
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| H A D | lal_soft.cpp | 66 _lj_types=lj_types; in init()
137 this->k_pair.run(&this->atom->x, &coeff, &_lj_types, &sp_lj, in loop()
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