/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_mvs.c | 854 t2353 = t117 * t1101; in func_unpol() 3683 t2353 = t851 * t855; in func_pol() 3684 t2354 = t2353 * t858; in func_pol() 3711 t2436 = t2353 * t896; in func_pol() 3718 t2448 = t2353 * t899; in func_pol() 3727 t2464 = t2353 * t903; in func_pol() 5146 t6733 = t2353 * t2361; in func_pol() 5150 t6748 = t2353 * t2365; in func_pol() 5151 t6750 = t2353 * t2371; in func_pol() 5159 t6761 = t2353 * t2439; in func_pol() [all …]
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H A D | mgga_x_rlda.c | 991 double t2353, t2355, t2358, t2360, t2363, t2367, t2371, t2375; in func_pol() local 2503 t2353 = t8 * t202 * t151 / 0.9e1; in func_pol() 2516 …195 - t145 * t360 * t151 * t599 / 0.2e1 - 0.4e1 * t2346 - 0.2e1 * t2349 + t2353 - t2355 / 0.2e1 - … in func_pol() 2535 …0 * t938 * t113 / 0.2e1 - 0.4e1 / 0.3e1 * t2346 - 0.2e1 / 0.3e1 * t2349 + t2353 + t963 * t2451 * t… in func_pol() 2549 …* t2419 - t2423 - t2444 - 0.4e1 / 0.3e1 * t2426 - 0.2e1 / 0.9e1 * t2320 + t2353 - t2355 / 0.6e1 - … in func_pol() 2559 …v4rho3lapl[6] = -0.2e1 / 0.3e1 * t2419 - 0.2e1 / 0.3e1 * t2499 - 0.2e1 * t2511 + t2353 + t145 * t6… in func_pol()
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H A D | mgga_x_m11_l.c | 994 t2353 = t54 * t2352; in func_unpol() 5674 t2353 = t1882 * t27; in func_pol() 6835 t7064 = t210 * t2353 * t739; in func_pol() 6838 t7071 = t210 * t2353 * t868; in func_pol() 7333 t8902 = t210 * t2353 * t1015; in func_pol() 9537 t18692 = t210 * t2353 * t2663; in func_pol() 9538 t18695 = t210 * t2353 * t2386; in func_pol() 9606 t19583 = t210 * t2353 * t2382; in func_pol() 9680 t19938 = t210 * t2353 * t3056; in func_pol() 9682 t19941 = t210 * t2353 * t3060; in func_pol() [all …]
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H A D | mgga_x_rscan.c | 14345 double t2348, t2349, t2350, t2353, t2354, t2355, t2358, t2359; in func_pol() local 17307 t2353 = t780 * t324; in func_pol() 19410 …2363 * t6735 - 0.23871117637764e2 * t6738 * t6740 + 0.199799559359325e3 * t2353 * t6743 - 0.799198… in func_pol() 21611 t12271 = t2353 * t12270; in func_pol() 24266 …e2 * t6738 * t6739 * t6501 + 0.399599118718650e3 * t2353 * t6641 * t2111 + 0.266399412479100e3 * t… in func_pol() 25357 …* t26022 + 0.2797193831030550e4 * t3216 * t26025 - 0.1198797356155950e4 * t2353 * t26028 - 0.12982… in func_pol() 25434 …79588735370e3 * t3216 * t25880 + 0.199799559359325e3 * t2353 * t25967 + 0.66599853119775e2 * t2353… in func_pol() 26213 …0e5 * t3222 * t29990 - 0.186479588735370e3 * t3216 * t30415 + 0.199799559359325e3 * t2353 * t30418; in func_pol() 26219 …t2353 * t30421 + 0.33009847199632480000e6 * t2399 * t3765 - 0.12378692699862180000e6 * t26447 * t3… in func_pol() 27195 t35035 = 0.66599853119775e2 * t2353 * t34965; in func_pol() [all …]
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H A D | mgga_xc_cc06.c | 1081 double t2344, t2348, t2350, t2351, t2353, t2354, t2355, t2356; in func_pol() local 2773 t2353 = t52 * t473 * t90; in func_pol() 2774 t2354 = 0.1440e4 * t2353; in func_pol() 3048 …0.48e2 * t3212 - 0.24e2 * t2340 + 0.8e1 * t3424 + 0.96e2 * t2342 + t2348 - 0.480e3 * t2353 - t2359; in func_pol()
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H A D | mgga_c_m05.c | 3032 double t2348, t2349, t2350, t2351, t2352, t2353, t2354, t2356; in func_pol() local 5320 t2353 = t191 * t191; in func_pol() 5321 t2354 = t189 * t2353; in func_pol() 7539 t6349 = t190 * t2353; in func_pol() 7988 t7196 = t2353 * t191; in func_pol() 8994 t8829 = t2353 * tau[1]; in func_pol() 10119 t10135 = 0.1e1 / t2353; in func_pol() 11490 t19041 = t726 * t2353 * t2358; in func_pol() 11785 t21426 = t2353 * t2353; in func_pol() 12321 t25437 = t884 * t2353 * t2358; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_pbea.c | 467 double t2333, t2352, t2353, t2354, t2356, t2359, t2360, t2374; in func_pol() local 1484 t2353 = t2352 * t306; in func_pol() 1485 t2354 = t2353 * t334; in func_pol() 1505 t2441 = t2353 * t338; in func_pol() 1507 t2453 = t2353 * t346; in func_pol()
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H A D | gga_c_chachiyo.c | 795 double t2333, t2337, t2340, t2341, t2344, t2346, t2350, t2353; in func_pol() local 1860 t2353 = t881 * t913 * t885; in func_pol() 1864 …t2344 + 0.11e2 / 0.2304e4 * t2346 + t2350 / 0.768e3 + 0.7e1 / 0.18432e5 * t2353 - t2357 / 0.768e3 … in func_pol() 1873 t2377 = 0.7e1 / 0.9216e4 * t2353; in func_pol() 1887 t2393 = 0.7e1 / 0.4608e4 * t2353; in func_pol() 1916 …5 / 0.192e3 + t2409 / 0.96e2 + t2303 + t2304 + t2311 + 0.7e1 / 0.2304e4 * t2353 - 0.7e1 / 0.2304e4… in func_pol()
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H A D | gga_x_lsrpbe.c | 613 double t2353, t2356, t2357, t2359, t2372, t2375, t2388, t2400; in func_pol() local 1570 t2353 = t2315 * t422; in func_pol() 1577 …- 0.4e1 / 0.9e1 * t2287 - 0.2e1 / 0.3e1 * t2290 + t2294 - 0.2e1 / 0.9e1 * t2353 - t2356 - t2357 / … in func_pol() 1592 …v4rho3sigma[8] = -0.4e1 / 0.9e1 * t2353 - t2356 + 0.4e1 / 0.3e1 * t2357 - 0.2e1 / 0.9e1 * t2287 + … in func_pol() 1603 …v4rho3sigma[11] = -0.2e1 / 0.3e1 * t2353 - 0.2e1 / 0.3e1 * t2417 - 0.4e1 * t2425 - 0.2e1 * t2434 +… in func_pol()
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H A D | gga_x_2d_b88.c | 661 double t2333, t2337, t2342, t2345, t2348, t2350, t2353, t2356; in func_pol() local 1653 t2353 = t97 * t970 * t98; in func_pol() 1658 …144 * t2360 * t579 - 0.4e1 * t144 * t403 * t620 - 0.9e1 * t2350 - 0.9e1 * t2353 - 0.18e2 * t2356 +… in func_pol() 1678 …2e1 * t144 * t2428 * t246 + 0.4e1 * t993 * t403 - 0.3e1 * t2350 - 0.6e1 * t2353 - 0.6e1 * t2356 + … in func_pol() 1695 …497 * t98 - 0.4e1 * t144 * t403 * t746 + 0.12e2 * t2436 * t1005 - 0.3e1 * t2353 + t2359 - 0.6e1 * … in func_pol()
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H A D | gga_x_optx.c | 542 double t2303, t2316, t2328, t2345, t2353, t2362, t2371, t2447; in func_pol() local 1484 t2353 = t954 * t1005; in func_pol() 1488 …58 * t2287 * t726 / 0.9e1 + t2274 * t976 * t730 / 0.3e1 - 0.4e1 / 0.3e1 * t2353 - t958 * t248 * t4… in func_pol() 1497 … * t855 / 0.2e1 - 0.2e1 / 0.3e1 * t2281 - 0.2e1 / 0.3e1 * t2345 - 0.4e1 * t2353 - 0.2e1 * t2362 + … in func_pol()
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H A D | gga_c_tca.c | 862 double t2339, t2340, t2342, t2347, t2348, t2352, t2353, t2354; in func_pol() local 2053 t2353 = 0.11557111067193919396e-3 * t2352; in func_pol() 2073 …t2384 = t2339 - 0.56381321708555341564e-2 * t2342 - t2348 + t2353 - t2355 - 0.11748271306413783824… in func_pol() 2158 …60904354712612747e-2 * t2530 + 0.23486541065335947676e0 * t2533 - t2348 + t2353 - t2355 - 0.783218… in func_pol() 2192 …330 + t2339 - 0.78321808709425225493e-2 * t2530 + 0.46973082130671895351e0 * t2533 - t2348 + t2353; in func_pol() 2218 …t2736 = -t2348 + t2353 - t2355 - 0.10837946617917234799e-1 * t2729 + 0.11727314915379511045e0 * t2… in func_pol()
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H A D | gga_xc_b97.c | 1723 double t2334, t2337, t2342, t2345, t2352, t2353, t2356, t2357; in func_pol() local 3652 t2353 = t5 * t2352; in func_pol() 3719 t2492 = t2353 * t189; in func_pol() 5377 t6327 = t2353 * t448; in func_pol() 5407 t6383 = t2353 * t504; in func_pol() 6083 t7933 = t2353 * t947; in func_pol() 7688 …2 + 0.20000000000000000000e1 * t2345 * t1507 + 0.10000000000000000000e1 * t2353 * t1507 + 0.100000… in func_pol() 7740 …8785e3 * t9336 * t5944 - 0.50000000000000000001e0 * t2353 * t1357 - 0.16082341588935348987e2 * t23… in func_pol() 7774 t16421 = t2353 * t1294; in func_pol() 7785 t16532 = t2353 * t1053; in func_pol() [all …]
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H A D | gga_k_dk.c | 901 double t2347, t2353, t2354, t2355, t2372, t2373, t2377, t2378; in func_pol() local 2422 t2353 = t6 * t71 * t325; in func_pol() 2423 t2354 = t2353 * t457; in func_pol() 2505 t2718 = t2353 * t487; in func_pol() 2659 t3938 = t2353 * t610; in func_pol() 2707 t4174 = t2353 * t647; in func_pol()
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H A D | gga_c_cs1.c | 730 double t2353, t2356, t2391, t2393, t2396, t2399, t2402, t2407; in func_pol() local 1984 t2353 = 0.11633333333333333333e0 * t2352; in func_pol() 1998 …t2418 = t2344 + t2346 + t2349 + t2351 - t2353 - t2356 + t129 * t1121 / 0.2e1 - t133 * t135 * t1120… in func_pol() 2029 …t2488 = t764 * t245 / 0.2e1 + t2391 + t2326 + t2344 + t2346 + t2349 + t2351 - t2353 - t2356 - t231… in func_pol()
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H A D | gga_x_lg93.c | 1020 double t2335, t2336, t2338, t2339, t2340, t2342, t2352, t2353; in func_pol() local 2741 t2353 = t80 * t2352; in func_pol() 2742 t2356 = 0.93652500000000000000e-2 * t159 * t161 * t2353; in func_pol() 3537 t7230 = 0.31217500000000000000e-2 * t159 * t380 * t2353; in func_pol() 3539 … - 0.12487000000000000000e-1 * t141 * t161 * t2353 * t147 + 0.91313622465000000000e-2 * t159 * t38… in func_pol() 3579 … t1071 * t2147 * t718 + t7140 - 0.12487000000000000000e-1 * t141 * t161 * t2353 * t225 - t7230 + 0… in func_pol()
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H A D | gga_c_am05.c | 906 double t2337, t2346, t2349, t2353, t2355, t2359, t2392, t2410; in func_pol() local 2027 t2353 = t498 * t282; in func_pol() 2106 …e1 * t2346 + t260 * t1135 + 0.6e1 * t2349 + 0.3e1 * t584 * t544 + 0.3e1 * t2353 + 0.3e1 * t2355 + … in func_pol() 2140 …t2773 = t626 * t544 + 0.2e1 * t2346 + 0.4e1 * t2349 + 0.2e1 * t2353 + 0.2e1 * t2355 + t224 * (t232… in func_pol()
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H A D | gga_c_lyp.c | 528 double t2321, t2333, t2341, t2350, t2353, t2356, t2359, t2360; in func_pol() local 1673 t2353 = t96 * t2216; in func_pol() 1675 ….2e1 * t2077 * t860 - 0.4e1 * t851 * t294 + 0.4e1 * t210 * t2350 - t210 * t2353 / 0.2e1 - 0.176e3 … in func_pol() 2527 …t5599 = -t621 * t2353 / 0.2e1 - t210 * t96 * t5204 / 0.2e1 + 0.616e3 / 0.27e2 * t210 * t2333 * t15… in func_pol() 2580 …9 + 0.320e3 / 0.27e2 * t5852 + 0.320e3 / 0.27e2 * t5855 - 0.2e1 * t2077 * t2353 + 0.128e3 / 0.3e1 … in func_pol()
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H A D | gga_c_wl.c | 470 double t2353, t2355, t2356, t2357, t2362, t2363, t2365, t2366; in func_pol() local 1720 t2353 = 0.60010000000000000001e-1 * t2352; in func_pol() 1724 …* t2330 - t2334 + t2336 - t2338 - t2340 + t2342 + t2345 + t2347 + t2351 - t2353 - t2356 + 0.336056… in func_pol() 1784 …t2523 = -t2329 - t2334 + t2336 - t2338 - t2340 + t2342 + t2345 + t2347 + t2351 - t2353 - t2356 + 0… in func_pol()
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H A D | gga_c_pbe.c | 1489 double t2351, t2353, t2354, t2355, t2356, t2359, t2361, t2363; in func_pol() local 3176 t2353 = t457 * t318; in func_pol() 3179 t2356 = t2353 * t2355; in func_pol() 4344 …t5316 = -0.4e1 * t1874 * t318 * t547 * t92 + 0.18e2 * t240 * t506 * t761 + 0.72e2 * t2353 * t5310 … in func_pol() 4601 …5 + t5489 + t5490 - t4663 - t4289 - t4337 + t4645 + 0.18e2 * t2353 * t6350 + 0.36e2 * t2353 * t632… in func_pol() 4658 …506 + 0.6e1 * t1961 * t240 * t374 + 0.2e1 * t2422 * t760 * t92 + 0.12e2 * t2353 * t6565 + 0.24e2 *… in func_pol() 4682 …t6633 = 0.12e2 * t2345 * t545 * t6621 - 0.6e1 * t2345 * t6341 + 0.24e2 * t2353 * t6628 + 0.12e2 * … in func_pol() 4887 …t7849 = -0.6e1 * t3040 * t318 * t5348 * t92 + 0.18e2 * t2353 * t7846 + 0.18e2 * t2439 * t6565 + 0.… in func_pol()
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H A D | hyb_gga_xc_wb97.c | 1908 double t2335, t2337, t2339, t2352, t2353, t2354, t2355, t2361; in func_pol() local 4215 t2353 = t2229 + t2352; in func_pol() 4216 t2354 = t2353 * t416; in func_pol() 5348 t5003 = t2353 * t901; in func_pol() 6244 t7068 = t2353 * t1190; in func_pol() 7986 t11597 = t2353 * t1269; in func_pol() 8138 t11897 = t2353 * t1347; in func_pol() 12054 …97 * t1296 + 0.48247024766806046961e2 * t2119 * t25209 * t35705 + 0.3e1 * t2353 * t3966 + t384 * (… in func_pol() 12171 …105 * t6563 * t36312 - 0.20000000000000000000e1 * t6545 * t864 * t36316 + t2353 * t4156 - t36322 -… in func_pol() 12383 …v4rho2sigma2[2] = 0.2e1 * t38336 + 0.2e1 * t38338 + t2 * t2353 * t4284 + 0.2e1 * t12826 * t12887 +… in func_pol() [all …]
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H A D | gga_x_hjs_b88_v2.c | 1191 t2353 = t2352 * t1577; in func_unpol() 9223 t2353 = 0.1e1 / t2352; in func_pol() 9224 t2354 = t2353 * t343; in func_pol() 10252 t5583 = t1390 * t2353; in func_pol() 10482 t6170 = t2353 * t781; in func_pol() 11845 t9906 = t2353 * t1095; in func_pol() 13722 t17067 = t4326 * t2353; in func_pol() 14014 t18226 = t4704 * t2353; in func_pol() 14015 t18229 = t4684 * t2353; in func_pol() 14438 t20311 = t5521 * t2353; in func_pol() [all …]
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H A D | gga_x_q2d.c | 1134 double t2346, t2347, t2348, t2350, t2351, t2352, t2353, t2354; in func_pol() local 2781 t2353 = t261 * t2352; in func_pol() 2782 t2354 = t2353 / 0.75497472e8; in func_pol() 3562 …v4rho2sigma2[17] = t9 * (t6393 + t6447 + t6479 + t6495) - t2345 / 0.393216e6 - t2353 / 0.37748736e… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_vwn_2.c | 862 double t2340, t2341, t2342, t2343, t2345, t2348, t2349, t2353; in func_pol() local 2080 t2353 = 0.38760910846177496856e-2 * t1797; in func_pol() 2084 …t2359 = -t1742 / 0.2e1 + t2348 + t2349 - 0.12e2 * t1753 - 0.24e2 * t1755 - 0.12e2 * t1758 + t2353 … in func_pol() 2389 … t1742 + t2348 + t2349 - 0.6e1 * t1753 - 0.12e2 * t1755 - 0.9e1 * t1758 + t2353 + t2354 + t2355 + … in func_pol() 2401 …t4443 = -0.4e1 * t1755 - 0.6e1 * t1758 + t2353 + t2354 + t2355 + t2356 - 0.8e1 * t2124 - 0.2e1 * t… in func_pol() 2458 …t4804 = t2349 - t1759 + t2353 + t2354 + t2355 + t2356 - t4367 - t4370 - t2295 - t2296 - t2298 - t2… in func_pol() 2477 …t4917 = t2348 + t2349 + t2353 + t2354 + t2355 + t2356 - 0.12e2 * t2294 - 0.4e1 * t2296 - 0.4e1 * t… in func_pol()
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H A D | lda_x_erf.c | 492 double t2350, t2353, t2354, t2355, t2356, t2358, t2359, t2360; in func_pol() local 1627 t2353 = t299 * t495; in func_pol() 1628 t2354 = t2353 * t51; in func_pol() 2736 …t7227 = -0.4e1 / 0.243e3 * t4384 + 0.16e2 / 0.729e3 * t4411 + 0.2e1 * t2353 * t289 + 0.4e1 * t2355… in func_pol()
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