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Searched defs:bas (Results 1 – 25 of 1613) sorted by relevance

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/dports/net/rospo/rospo-0.7.1/vendor/github.com/go-playground/locales/locales-0.13.0/bas/
H A Dbas.go1 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 …]
/dports/www/gohugo/hugo-0.91.2/vendor/github.com/gohugoio/locales/bas/
H A Dbas.go1 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 …]
/dports/www/mirrorselect/mirrorselect-0.9.0/vendor/github.com/go-playground/locales/bas/
H A Dbas.go1 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 …]
/dports/science/libcint/libcint-5.1.0/src/
H A Dc2f.c22 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 …]
H A Dcint_bas.c17 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 …]
H A Dcint2e_f12.c13 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 …]
H A Doptimizer.c22 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 …]
/dports/science/libcint/libcint-5.1.0/src/autocode/
H A Dint3c2e.c73 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 …]
H A Dgrad1.c46 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 …]
H A Ddkb.c84 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 …]
H A Dhess.c68 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 …]
H A Dintor3.c60 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 …]
H A Dintor1.c52 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 …]
H A Dgaunt1.c88 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 …]
H A Dintor2.c82 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 …]
H A Dint1e_grids1.c51 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 …]
H A Dbreit1.c188 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 …]
H A Dgrad2.c74 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 …]
H A Dintor4.c64 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 …]
H A Dderiv3.c134 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 …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/vhf/
H A Doptimizer.c31 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 …]
H A Dhessian_screen.c45 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 …]
H A Drkb_screen.c40 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 …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/
H A Dmoleintor.py41 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
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/pbc/
H A Doptimizer.c26 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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