/dports/net/rospo/rospo-0.7.1/vendor/github.com/go-playground/locales/locales-0.13.0/bas/ |
H A D | bas.go | 1 package bas package 12 type bas struct { struct 13 locale string 17 decimal string 18 group string 19 minus string 20 percent string 21 percentSuffix string 22 perMille string 23 timeSeparator string [all …]
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/dports/www/gohugo/hugo-0.91.2/vendor/github.com/gohugoio/locales/bas/ |
H A D | bas.go | 1 package bas package 12 type bas struct { struct 13 locale string 17 decimal string 18 group string 19 minus string 20 percent string 21 percentSuffix string 22 perMille string 23 timeSeparator string [all …]
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/dports/www/mirrorselect/mirrorselect-0.9.0/vendor/github.com/go-playground/locales/bas/ |
H A D | bas.go | 1 package bas package 12 type bas struct { struct 13 locale string 17 decimal string 18 group string 19 minus string 20 percent string 21 percentSuffix string 22 perMille string 23 timeSeparator string [all …]
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/dports/science/libcint/libcint-5.1.0/src/ |
H A D | c2f.c | 22 FINT cintlen_spinor_(const FINT *bas_id, const FINT *bas) in cintlen_spinor_() 27 FINT cintcgtos_cart_(const FINT *bas_id, const FINT *bas) in cintcgtos_cart_() 31 FINT cintcgto_cart_(const FINT *bas_id, const FINT *bas) in cintcgto_cart_() 36 FINT cintcgtos_spheric_(const FINT *bas_id, const FINT *bas) in cintcgtos_spheric_() 40 FINT cintcgto_spheric_(const FINT *bas_id, const FINT *bas) in cintcgto_spheric_() 45 FINT cintcgtos_spinor_(const FINT *bas_id, const FINT *bas) in cintcgtos_spinor_() 49 FINT cintcgto_spinor_(const FINT *bas_id, const FINT *bas) in cintcgto_spinor_() 57 FINT cinttot_pgto_spheric_(const FINT *bas, const FINT *nbas) in cinttot_pgto_spheric_() 65 FINT cinttot_pgto_spinor_(const FINT *bas, const FINT *nbas) in cinttot_pgto_spinor_() 73 FINT cinttot_cgto_cart_(const FINT *bas, const FINT *nbas) in cinttot_cgto_cart_() [all …]
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H A D | cint_bas.c | 17 FINT CINTlen_spinor(const FINT bas_id, const FINT *bas) in CINTlen_spinor() 31 FINT CINTcgtos_cart(const FINT bas_id, const FINT *bas) in CINTcgtos_cart() 36 FINT CINTcgto_cart(const FINT bas_id, const FINT *bas) in CINTcgto_cart() 45 FINT CINTcgtos_spheric(const FINT bas_id, const FINT *bas) in CINTcgtos_spheric() 49 FINT CINTcgto_spheric(const FINT bas_id, const FINT *bas) in CINTcgto_spheric() 57 FINT CINTcgtos_spinor(const FINT bas_id, const FINT *bas) in CINTcgtos_spinor() 61 FINT CINTcgto_spinor(const FINT bas_id, const FINT *bas) in CINTcgto_spinor() 69 FINT CINTtot_pgto_spheric(const FINT *bas, const FINT nbas) in CINTtot_pgto_spheric() 84 FINT CINTtot_pgto_spinor(const FINT *bas, const FINT nbas) in CINTtot_pgto_spinor() 116 FINT CINTtot_cgto_spinor(const FINT *bas, const FINT nbas) in CINTtot_cgto_spinor() [all …]
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H A D | cint2e_f12.c | 13 FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) in int2e_stg_sph() 22 FINT *bas, FINT nbas, double *env) in int2e_stg_optimizer() 29 FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) in int2e_yp_sph() 38 FINT *bas, FINT nbas, double *env) in int2e_yp_optimizer() 66 FINT *bas, FINT nbas, double *env) { in int2e_yp_ip1_optimizer() 71 FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_yp_ip1_sph() 86 FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_stg_ip1_sph() 102 FINT *bas, FINT nbas, double *env) { in int2e_yp_ipip1_optimizer() 107 FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_yp_ipip1_sph() 138 FINT *bas, FINT nbas, double *env) { in int2e_yp_ipvip1_optimizer() [all …]
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H A D | optimizer.c | 22 FINT *bas, FINT nbas, double *env) in CINTinit_2e_optimizer() 34 FINT *bas, FINT nbas, double *env) in CINTinit_optimizer() 74 FINT *bas, FINT nbas, double *env) in CINTno_optimizer() 79 static FINT _make_fakebas(FINT *fakebas, FINT *bas, FINT nbas, double *env) in _make_fakebas() 119 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env) in gen_idx() 176 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env) in CINTall_1e_optimizer() 186 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env) in CINTall_2e_optimizer() 196 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env) in CINTall_3c2e_optimizer() 311 FINT *bas, FINT nbas, double *env) in CINTOpt_set_log_maxc() 375 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env) in CINTOpt_setij() [all …]
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/dports/science/libcint/libcint-5.1.0/src/autocode/ |
H A D | int3c2e.c | 73 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip1_cart() 81 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip1_sph() 89 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip1_spinor() 154 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip2_cart() 162 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip2_sph() 170 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_ip2_spinor() 219 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_pvp1_cart() 227 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_pvp1_sph() 235 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_pvp1_spinor() 288 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int3c2e_pvxp1_cart() [all …]
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H A D | grad1.c | 46 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlp_cart() 54 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlp_sph() 62 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlp_spinor() 100 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ovlpip_cart() 108 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ovlpip_sph() 116 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ovlpip_spinor() 190 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipkin_cart() 199 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipkin_sph() 208 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipkin_spinor() 283 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_kinip_cart() [all …]
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H A D | dkb.c | 84 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spspsp_cart() 92 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spspsp_sph() 100 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spspsp_spinor() 144 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spnuc_cart() 152 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spnuc_sph() 160 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spnuc_spinor() 228 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spv1_cart() 236 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spv1_sph() 244 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spv1_spinor() 312 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_vsp1_cart() [all …]
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H A D | hess.c | 68 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipovlp_cart() 76 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipovlp_sph() 84 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipovlp_spinor() 144 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlpip_cart() 152 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlpip_sph() 160 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipovlpip_spinor() 316 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipkin_cart() 325 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipkin_sph() 334 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipkin_spinor() 491 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipkinip_cart() [all …]
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H A D | intor3.c | 60 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_sigma_cart() 68 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_sigma_sph() 76 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_sigma_spinor() 142 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spsigmasp_cart() 150 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spsigmasp_sph() 158 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_spsigmasp_spinor() 208 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_srsr_cart() 216 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_srsr_sph() 224 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_srsr_spinor() 264 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_sr_cart() [all …]
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H A D | intor1.c | 52 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_kin_cart() 61 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_kin_sph() 70 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_kin_spinor() 125 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ia01p_cart() 133 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ia01p_sph() 141 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ia01p_spinor() 189 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_giao_irjxp_cart() 197 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_giao_irjxp_sph() 205 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_giao_irjxp_spinor() 257 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_cg_irxp_cart() [all …]
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H A D | gaunt1.c | 88 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1ssp2_cart() 97 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1ssp2_sph() 106 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1ssp2_spinor() 186 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1sps2_cart() 195 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1sps2_sph() 204 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ssp1sps2_spinor() 284 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_sps1ssp2_cart() 293 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_sps1ssp2_sph() 302 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_sps1ssp2_spinor() 382 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_sps1sps2_cart() [all …]
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H A D | intor2.c | 82 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ig1_cart() 103 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ig1_sph() 124 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ig1_spinor() 217 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gg1_cart() 238 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gg1_sph() 259 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gg1_spinor() 356 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_g1g2_cart() 387 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_g1g2_sph() 418 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_g1g2_spinor() 495 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_p1vxp1_cart() [all …]
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H A D | int1e_grids1.c | 51 void int1e_grids_ip_optimizer(CINTOpt **opt, FINT *atm, FINT natm, FINT *bas, FINT nbas, double *en… in int1e_grids_ip_optimizer() 56 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ip_cart() 64 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ip_sph() 72 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ip_spinor() 137 void int1e_grids_ipvip_optimizer(CINTOpt **opt, FINT *atm, FINT natm, FINT *bas, FINT nbas, double … in int1e_grids_ipvip_optimizer() 142 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ipvip_cart() 150 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ipvip_sph() 158 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_ipvip_spinor() 218 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_spvsp_cart() 226 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_grids_spvsp_sph() [all …]
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H A D | breit1.c | 188 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1ssp2_cart() 197 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1ssp2_sph() 206 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1ssp2_spinor() 386 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1sps2_cart() 395 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1sps2_sph() 404 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_ssp1sps2_spinor() 584 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_sps1ssp2_cart() 593 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_sps1ssp2_sph() 602 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_sps1ssp2_spinor() 782 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_gauge_r1_sps1sps2_cart() [all …]
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H A D | grad2.c | 74 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip1_cart() 82 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip1_sph() 90 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip1_spinor() 156 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip2_cart() 164 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip2_sph() 172 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip2_spinor() 270 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ipspsp1_cart() 278 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ipspsp1_sph() 286 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ipspsp1_spinor() 384 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_ip1spsp2_cart() [all …]
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H A D | intor4.c | 64 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1_cart() 72 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1_sph() 80 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1_spinor() 256 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1spsp2_cart() 264 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1spsp2_sph() 272 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_spsp1spsp2_spinor() 328 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_srsr1_cart() 336 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_srsr1_sph() 344 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_srsr1_spinor() 520 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int2e_srsr1srsr2_cart() [all …]
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H A D | deriv3.c | 134 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipipnuc_cart() 142 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipipnuc_sph() 150 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipipnuc_spinor() 276 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipiprinv_cart() 284 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipiprinv_sph() 292 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipiprinv_spinor() 418 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipnucip_cart() 426 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipnucip_sph() 434 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipipnucip_spinor() 560 FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { in int1e_ipiprinvip_cart() [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/vhf/ |
H A D | optimizer.c | 31 int *bas, int nbas, double *env) in CVHFinit_optimizer() 62 int *atm, int *bas, double *env) in CVHFnoscreen() 68 int *atm, int *bas, double *env) in CVHFnr_schwarz_cond() 88 int *atm, int *bas, double *env) in CVHFnrs8_prescreen() 118 int *atm, int *bas, double *env) in CVHFnrs8_vj_prescreen() 142 int *atm, int *bas, double *env) in CVHFnrs8_vk_prescreen() 172 int *atm, int *bas, double *env) in CVHFr_vknoscreen() 229 int *atm, int *bas, double *env) in CVHFnr3c2e_schwarz_cond() 262 int *bas, int nbas, double *env) in CVHFsetnr_direct_scf() 282 int *bas, int nbas, double *env) in CVHFset_int2e_q_cond() [all …]
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H A D | hessian_screen.c | 45 int *atm, int *bas, double *env) in CVHFgrad_jk_prescreen() 72 int *bas, int nbas, double *env) in CVHFgrad_jk_direct_scf() 142 int *atm, int natm, int *bas, int nbas, double *env) in CVHFgrad_jk_direct_scf_dm() 180 int *atm, int *bas, double *env) in CVHFip1ip2_prescreen() 207 int *bas, int nbas, double *env) in CVHFip1ip2_direct_scf() 213 int *atm, int natm, int *bas, int nbas, double *env) in CVHFip1ip2_direct_scf_dm() 224 int *atm, int *bas, double *env) in CVHFipip1_prescreen() 252 int *bas, int nbas, double *env) in CVHFipip1_direct_scf() 335 int *atm, int natm, int *bas, int nbas, double *env) in CVHFipip1_direct_scf_dm() 346 int *atm, int *bas, double *env) in CVHFipvip1_prescreen() [all …]
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H A D | rkb_screen.c | 40 int *atm, int *bas, double *env) in CVHFrkbllll_prescreen() 69 int *atm, int *bas, double *env) in CVHFrkbllll_vkscreen() 89 int *atm, int *bas, double *env) in CVHFrkbssll_prescreen() 121 int *atm, int *bas, double *env) in CVHFrkbssll_vkscreen() 147 int *bas, int nbas, double *env) in set_qcond() 193 int *bas, int nbas, double *env) in CVHFrkbllll_direct_scf() 206 int *bas, int nbas, double *env) in CVHFrkbssss_direct_scf() 220 int *bas, int nbas, double *env) in CVHFrkbssll_direct_scf() 265 int *bas, int nbas, double *env) in CVHFrkbllll_direct_scf_dm() 279 int *bas, int nbas, double *env) in CVHFrkbssss_direct_scf_dm() [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/ |
H A D | moleintor.py | 41 def getints(intor_name, atm, bas, env, shls_slice=None, comp=None, hermi=0, argument 448 def getints2c(intor_name, atm, bas, env, shls_slice=None, comp=1, hermi=0, argument 503 def getints3c(intor_name, atm, bas, env, shls_slice=None, comp=1, argument 576 def getints4c(intor_name, atm, bas, env, shls_slice=None, comp=1, argument 659 def getints_by_shell(intor_name, shls, atm, bas, env, comp=1): argument 775 def make_loc(bas, key): argument 793 def make_cintopt(atm, bas, env, intor): argument
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/pbc/ |
H A D | optimizer.c | 26 int *bas, int nbas, double *env) in PBCinit_optimizer() 49 int PBCnoscreen(int *shls, PBCOpt *opt, int *atm, int *bas, double *env) in PBCnoscreen() 54 int PBCrcut_screen(int *shls, PBCOpt *opt, int *atm, int *bas, double *env) in PBCrcut_screen() 72 int *atm, int natm, int *bas, int nbas, double *env) in PBCset_rcut_cond()
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