/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_fd_lb94.c | 1306 t991 = t990 * t3; in func_pol() 1307 t992 = t991 * t427; in func_pol() 1322 t1011 = t991 * t432; in func_pol() 1326 t1021 = t991 * t449; in func_pol() 1349 t1064 = t991 * t465; in func_pol() 1371 t1089 = t991 * t481; in func_pol() 1691 t2446 = t991 * t1029; in func_pol() 1692 t2458 = t991 * t1033; in func_pol() 1699 t2475 = t991 * t1038; in func_pol() 1700 t2483 = t991 * t1042; in func_pol() [all …]
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H A D | gga_k_llp.c | 693 double t972, t976, t977, t982, t987, t991, t993, t998; in func_pol() local 1295 t991 = t382 * t382; in func_pol() 1296 t993 = 0.1e1 / t58 / t991; in func_pol() 1298 t999 = t991 * t150; in func_pol() 1391 t1227 = t991 * t57; in func_pol() 1461 t1356 = t991 * rho[1]; in func_pol() 1512 t1442 = 0.1e1 / t991; in func_pol() 1693 t2426 = t991 * t382; in func_pol() 1696 …0.27e2 * t33 * t998 / t2426 * t1004 - 0.1280e4 / 0.27e2 * t33 * t2432 / t59 / t991 / t511 * t2439); in func_pol() 1779 …88e3 / 0.9e1 * t33 * t1000 * t1004 * t409 + 0.160e3 / 0.9e1 * t33 / t59 / t991 / t575 * t2439 * t9… in func_pol()
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H A D | gga_xc_th1.c | 504 double t990, t991, t994, t995, t998, t999, t1002, t1003; in func_pol() local 1081 t991 = t75 * t990; in func_pol() 1091 …0.3e1 - t72 * t978 / 0.3e1 + 0.4e1 / 0.3e1 * t76 * t970 + 0.3e1 / 0.4e1 * t991 * t83 + 0.5e1 / 0.6… in func_pol() 1520 …0.13e2 / 0.16e2 * t2380 * t1025 - 0.5e1 / 0.6e1 * t2383 * t1025 + 0.4e1 * t991 * t165 + 0.40e2 / 0… in func_pol() 1581 … - 0.22e2 / 0.9e1 * t359 * t1005 - 0.8e1 / 0.3e1 * t304 * t1005 + 0.2e1 * t991 * t290 + 0.20e2 / 0… in func_pol() 2121 …* t58 * t79 * t1025 + 0.2321e4 / 0.864e3 * t62 * t3245 * t1025 + 0.10e2 * t991 * t477 + 0.100e3 / … in func_pol() 2124 …t5088 = 0.6e1 * t991 * t482 + 0.20e2 / 0.3e1 * t995 * t482 + 0.22e2 / 0.3e1 * t999 * t482 + 0.8e1 … in func_pol() 2204 …t304 * t2336 + 0.8e1 / 0.3e1 * t304 * t2341 + 0.20e2 / 0.3e1 * t991 * t666 + 0.4e1 * t991 * t670 +… in func_pol() 2317 …t991 * t819 + 0.100e3 / 0.27e2 * t995 * t819 + 0.110e3 / 0.27e2 * t999 * t819 + 0.40e2 / 0.9e1 * t… in func_pol()
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H A D | gga_x_chachiyo.c | 2347 t991 = t274 * t381; in func_pol() 2348 t992 = t991 * t280; in func_pol() 2607 t1322 = t991 * t438; in func_pol() 3102 t2056 = t991 * t674; in func_pol() 3255 t2258 = t991 * t724; in func_pol() 4170 t3718 = t991 * t996; in func_pol() 4185 t3791 = t991 * t1017; in func_pol() 4318 t4346 = t991 * t1297; in func_pol() 4452 t4983 = t991 * t1543; in func_pol() 4674 t6373 = t991 * t2059; in func_pol() [all …]
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H A D | gga_x_n12.c | 1056 double t974, t977, t991, t993, t995, t996, t997, t998; in func_pol() local 1751 …t991 = -t269 * t977 - 0.2e1 * t302 * t977 - 0.3e1 * t324 * t977 - t681 * t378 - 0.2e1 * t712 * t37… in func_pol() 1752 t993 = t7 * t17 * t991; in func_pol() 2152 t2142 = t7 * t215 * t991; in func_pol() 2200 t2235 = t991 * t208; in func_pol() 2352 t2688 = t991 * t370; in func_pol() 2907 t4751 = t7 * t674 * t991; in func_pol() 2931 …2e1 * t7 * t940 * t846 * t8 + t4847 + 0.7e1 / 0.2e1 * t4849 - t7 * t651 * t991 * t652 / 0.2e1 - t7… in func_pol() 2937 …t4896 = t4869 - 0.3e1 / 0.2e1 * t7 * t203 * t991 * t667 - t7 * t203 * t384 * t2064 / 0.2e1 - t4879… in func_pol() 3130 …t6144 = 0.7e1 / 0.3e1 * t6102 - 0.2e1 * t7 * t940 * t991 * t8 - t6109 / 0.9e1 - t7 * t650 * t5524 … in func_pol() [all …]
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H A D | gga_x_2d_b86_mgc.c | 457 double t979, t982, t991, t994, t997, t1003, t1006, t1008; in func_pol() local 1166 t991 = t149 * t171 * t150; in func_pol() 1171 …* t982 - 0.16e2 * t51 * t412 * t56 + 0.4e1 * t416 * t78 * t417 - 0.12e2 * t991 + 0.6e1 * t994 + 0.… in func_pol() 1214 …2e1 * t969 - 0.9e1 / 0.2e1 * t976 + 0.6e1 * t979 - 0.6e1 * t982 - 0.3e1 * t991 + 0.3e1 * t994 + 0.… in func_pol()
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H A D | gga_x_rge2.c | 542 double t990, t991, t992, t996, t999, t1002, t1003, t1006; in func_pol() local 1234 t991 = t168 * t8; in func_pol() 1235 t992 = t378 * t991; in func_pol() 1634 …e0 * t990 * t914 * t991 * t85 - 0.19392480000000000000e1 * t377 * t2374 * t406 * t225 + 0.12928320… in func_pol()
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H A D | gga_x_pbea.c | 437 double t985, t987, t990, t991, t994, t995, t998, t999; in func_pol() local 1184 t991 = t831 * t990; in func_pol() 1186 v3rhosigma2[6] = t969 + 0.23718898635940364752e-4 * t307 * t991; in func_pol() 1569 t2717 = t879 * t991; in func_pol()
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H A D | gga_k_ol2.c | 531 double t986, t988, t991, t992, t996, t997, t998, t1001; in func_pol() local 1201 t991 = 0.1e1 / t535; in func_pol() 1202 t992 = params->cc * t991; in func_pol() 1624 … * t988 * t407 * t227 + 0.384e3 * params->cc * t1174 * t1198 * t399 + 0.48e2 * t997 * t541 * t991); in func_pol()
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H A D | gga_c_cs1.c | 681 double t984, t985, t986, t987, t988, t989, t990, t991; in func_pol() local 1500 t991 = t990 * t85; in func_pol() 1501 t992 = t409 * t991; in func_pol() 1950 …t2076 = -t394 * t983 / 0.2e1 + t898 * t986 / 0.3e1 - t909 * t991 / 0.9e1 + t159 * t1019 / 0.2e1 + … in func_pol() 1960 … * t1029 * t435 - 0.4e1 / 0.9e1 * t1030 * t986 + 0.8e1 / 0.27e2 * t1025 * t991 + 0.20e2 / 0.27e2 *… in func_pol() 1965 …86 + 0.2e1 * t1033 * t204 + 0.2e1 * t404 * t460 - 0.4e1 / 0.9e1 * t1022 * t991 + 0.2e1 / 0.3e1 * t… in func_pol()
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H A D | gga_x_c09x.c | 548 double t985, t986, t988, t989, t990, t991, t995, t998; in func_pol() local 1179 t991 = t990 * t289; in func_pol() 1185 ….2e1 / 0.3e1 * t922 - t926 - t928 / 0.2e1 - 0.2e1 / 0.3e1 * t986 - t989 * t991 / 0.6e1 - t161 * t9… in func_pol() 1516 t2309 = 0.4e1 / 0.9e1 * t2307 * t991; in func_pol()
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H A D | gga_x_dk87.c | 745 double t981, t983, t984, t985, t987, t989, t991, t993; in func_pol() local 1389 t991 = t7 * t140 * t989; in func_pol() 1390 …1 - t965 / 0.6e1 - t969 / 0.6e1 - t973 / 0.2e1 - t979 / 0.2e1 + t983 - t987 / 0.2e1 - t991 / 0.2e1; in func_pol() 1806 …e1 - 0.2e1 / 0.3e1 * t962 - t965 / 0.3e1 - t969 / 0.3e1 - t973 - t979 + 0.2e1 * t983 - t987 - t991; in func_pol() 1828 …t2421 = -0.3e1 / 0.2e1 * t979 + 0.3e1 * t983 - 0.3e1 / 0.2e1 * t987 - 0.3e1 / 0.2e1 * t991 + t1014… in func_pol()
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H A D | gga_x_lspbe.c | 580 double t987, t991, t997, t998, t999, t1001, t1002, t1003; in func_pol() local 1206 t991 = t180 * t271; in func_pol() 1208 …v3rho2sigma[2] = -0.4e1 / 0.3e1 * t982 - t986 - t161 * t305 * t987 / 0.6e1 - t161 * t424 * t991 / … in func_pol() 1549 t2301 = t7 * t116 * t991; in func_pol()
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H A D | gga_x_bpccac.c | 741 double t981, t985, t987, t990, t991, t993, t996, t1000; in func_ferr() local 1152 t991 = t184 * t376; in func_ferr() 1161 …t1024 = 0.3e1 / 0.4e1 * t991 * t993 - 0.3e1 / 0.8e1 * t996 * t382 - t377 * t1000 / 0.8e1 + 0.3e1 /… in func_ferr() 1289 …310769678898833132e-1 * t985 * t981 * t1260 + 0.41310769678898833132e-1 * t991 * t981 * t483 + 0.7… in func_ferr() 1378 double t980, t982, t985, t986, t989, t991, t994, t998; in func_pol() local 2063 t991 = t102 * t95 * t109; in func_pol() 2079 …t1041 = -t980 * t982 / 0.2e1 + t986 * t352 / 0.4e1 + t989 * t991 / 0.4e1 - 0.13770256559632944377e… in func_pol() 2735 …* t2569 * t2571 + 0.3e1 / 0.4e1 * t2574 * t2576 - 0.3e1 / 0.8e1 * t2579 * t991 - t986 * t2583 / 0.… in func_pol() 3362 …- 0.9e1 / 0.4e1 * t628 * t2613 * t2576 + 0.15e2 / 0.16e2 * t245 * t6200 * t991 - 0.851492545700593… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_br89_explicit.c | 16496 t991 = t177 * t990; in func_pol() 16500 t995 = t991 * t994; in func_pol() 16548 t1047 = t991 * t1046; in func_pol() 16788 t1476 = t991 * t1475; in func_pol() 16836 t1518 = t991 * t1517; in func_pol() 17007 t1847 = t991 * t1846; in func_pol() 17050 t1887 = t991 * t1886; in func_pol() 17203 t2205 = t991 * t2204; in func_pol() 17246 t2245 = t991 * t2244; in func_pol() 18197 t4116 = t991 * t4115; in func_pol() [all …]
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H A D | mgga_c_m05.c | 847 t1076 = t7 * t991; in func_unpol() 1401 t2219 = t27 * t991; in func_unpol() 2369 t991 = t234 * t295; in func_ferr() 4550 t991 = t2 * t990; in func_pol() 5002 t1756 = t991 * t127; in func_pol() 5005 t1760 = t991 * t23; in func_pol() 5079 t1888 = t991 * t1887; in func_pol() 7046 t5356 = t991 * t327; in func_pol() 7048 t5359 = t991 * t448; in func_pol() 7476 t6241 = t991 * t634; in func_pol() [all …]
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H A D | hyb_mgga_x_m05.c | 2986 t997 = t996 * t991; in func_pol() 3003 t1043 = t991 * t144; in func_pol() 3223 t1583 = t644 * t991; in func_pol() 4101 t3603 = t169 * t991; in func_pol() 4103 t3607 = t174 * t991; in func_pol() 4109 t3621 = t179 * t991; in func_pol() 4113 t3629 = t189 * t991; in func_pol() 4115 t3633 = t432 * t991; in func_pol() 4122 t3647 = t149 * t991; in func_pol() 4129 t3674 = t184 * t991; in func_pol() [all …]
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H A D | mgga_c_b88.c | 722 t991 = t536 * t990; in func_unpol() 723 t992 = t174 * t991; in func_unpol() 3760 t991 = t316 * t333; in func_pol() 3761 t992 = t991 * t339; in func_pol() 4055 t1396 = t991 * t459; in func_pol() 4954 t2761 = t991 * t984; in func_pol() 4963 t2772 = t991 * t988; in func_pol() 4969 t2780 = t991 * t976; in func_pol() 5726 t3980 = t991 * t1293; in func_pol() 5849 t4110 = t991 * t1399; in func_pol() [all …]
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H A D | mgga_x_m11_l.c | 2712 t991 = t128 * t117; in func_ferr() 5281 t991 = t990 * t52; in func_pol() 5857 t3000 = t991 * t492; in func_pol() 5980 t3350 = t991 * t965; in func_pol() 7275 t8680 = t991 * t1907; in func_pol() 7286 t8720 = t991 * t1898; in func_pol() 7452 t9200 = t991 * t2973; in func_pol() 7464 t9247 = t991 * t9; in func_pol() 7670 t9932 = t991 * t3289; in func_pol() 7672 t9940 = t991 * t3298; in func_pol() [all …]
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H A D | mgga_x_mvs.c | 999 double t971, t978, t980, t991, t992, t993, t995, t999; in func_ferr() local 1487 t991 = t45 * t452; in func_ferr() 1488 t992 = t505 * t991; in func_ferr() 1489 t993 = t518 * t991; in func_ferr() 1893 double t983, t987, t988, t991, t992, t994, t996, t1000; in func_pol() local 2833 t991 = t120 * t42 * t44; in func_pol() 2834 t992 = t237 * t991; in func_pol() 2848 t1019 = t1018 * t991; in func_pol() 3955 t2802 = t2801 * t991; in func_pol() 4236 t3143 = t3142 * t991; in func_pol() [all …]
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H A D | mgga_x_tm.c | 74 double t990, t991, t1000, t1010, t1011, t1014, t1015, t1022; in func_unpol() local 655 t991 = t990 * t322; in func_unpol() 656 … * t325 + 0.18e2 * t332 * t327 - 0.324e3 * t339 * t987 - 0.162e3 * t339 * t991 - 0.162e3 * t973 * … in func_unpol() 1273 …99 + 0.72e2 * t970 * t325 + 0.144e3 * t332 * t964 - 0.1296e4 * t973 * t987 - 0.648e3 * t973 * t991; in func_unpol() 1350 …t3608 = 0.1080e4 * t480 * t3575 + 0.162e3 * t1747 * t991 + 0.162e3 * t1753 * t991 - 0.27e2 / 0.100… in func_unpol() 4072 double t978, t982, t989, t991, t995, t996, t997, t1004; in func_pol() local 5009 t991 = t383 * t389; in func_pol() 5019 … 0.12e2 * t341 * t931 - 0.6e1 * t341 * t934 + t128 * t978 + t989 * t187 + t991 * t413 / 0.5e1 - 0.… in func_pol() 5957 …7 * t1253 + t128 * t3266 + t3268 * t413 / 0.5e1 + t2668 * t530 / 0.10e2 + t991 * t1307 / 0.5e1 + t… in func_pol() 6364 …t4490 = t991 * t1691 / 0.10e2 + t390 * t4434 / 0.10e2 + t4437 * t413 / 0.10e2 + t3268 * t530 / 0.5… in func_pol() [all …]
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H A D | mgga_x_revtm.c | 2968 t991 = t17 * t986; in func_ferr() 3691 t3482 = t698 * t991; in func_ferr() 4626 double t985, t986, t987, t989, t990, t991, t992, t994; in func_pol() local 5625 t991 = t353 * t353; in func_pol() 5626 t992 = t207 * t991; in func_pol() 6415 t2844 = t991 * t336; in func_pol() 6428 t2868 = t991 * t353; in func_pol() 6446 t2892 = t460 * t991; in func_pol() 6675 t3577 = t954 * t601 * t991; in func_pol() 6874 t4251 = t954 * t705 * t991; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_xc_teter93.c | 390 double t980, t982, t984, t985, t986, t988, t991, t993; in func_pol() local 824 t991 = t523 * t90; in func_pol() 828 …t986 + 0.15393506422208362500e0 * t988 * t29 - 0.15393506422208362500e0 * t991 + t994 - 0.15963636… in func_pol() 870 …9e0 * t984 - 0.23321503939153585185e0 * t986 - 0.10262337614805575000e0 * t991 + 0.273662336394815… in func_pol()
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H A D | lda_c_vwn_3.c | 786 double t985, t986, t987, t988, t989, t990, t991, t992; in func_pol() local 1554 t991 = t51 * t578; in func_pol() 1555 t992 = t991 * t142; in func_pol() 1752 t1234 = t991 * t403; in func_pol() 1753 t1236 = t991 * t400; in func_pol() 2765 t4696 = t991 * t1005; in func_pol() 2767 t4700 = t991 * t1002; in func_pol() 2780 t4740 = t991 * t1008; in func_pol()
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H A D | lda_c_pk09.c | 89 double t989, t991, t994, t996, t997, t998, t999, t1001; in func_unpol() local 695 t991 = log(t41); in func_unpol() 697 t996 = t260 * t989 * t991 + t261 * t989 * t994; in func_unpol() 857 t1366 = t405 * t1361 * t994 + t406 * t1361 * t991; in func_unpol() 1151 t2738 = t991 * t991; in func_unpol() 1431 double t982, t983, t986, t987, t990, t991, t997, t1000; in func_ferr() local 1965 t991 = t990 * t62; in func_ferr() 2325 double t984, t985, t986, t990, t991, t992, t993, t995; in func_pol() local 3400 t991 = t990 * t200; in func_pol() 3403 t995 = 0.23693919160612837388e1 * t991 * t993; in func_pol() [all …]
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