| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_pkzb.c | 1164 double t3052, t3066, t3068, t3081, t3087, t3091, t3112, t3115; in func_pol() local
2991 t3081 = t15 * t790; in func_pol()
3024 …0000e0 * t1252 * t1169 * t1253 * t114 - 0.19392480000000000000e1 * t498 * t3081 * t532 * t312 + 0.… in func_pol()
3137 …000000000e0 * t1252 * t1169 * t1421 * t114 - 0.19392480000000000000e1 * t498 * t3081 * t587 * t312; in func_pol()
3477 …334e-2 * t1523 * t1524 * t1676 * t345 - 0.38784960000000000000e1 * t498 * t3081 * t1662 * t152 + 0… in func_pol()
3532 …v4rhosigma3[0] = -t4928 - 0.19392480000000000000e1 * t498 * t3081 * t1728 * t114 + 0.5817744000000… in func_pol()
3565 …v4rhosigma3[10] = -t4928 - 0.19392480000000000000e1 * t498 * t3081 * t1728 * t170 + t4942 + 0.9930… in func_pol()
3716 …v4rhosigma2tau[12] = -t5006 - 0.19392480000000000000e1 * t498 * t3081 * t1746 * t170 - t5024 - 0.2… in func_pol()
3916 …v4rhosigmatau2[9] = -t5132 - 0.19392480000000000000e1 * t498 * t3081 * t1770 * t170 - t5150 - 0.25… in func_pol()
4041 …v4rhotau3[0] = -t5246 - 0.19392480000000000000e1 * t498 * t3081 * t1792 * t114 + 0.581774400000000… in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 115 double t3069, t3074, t3077, t3080, t3081, t3091, t3111, t3125; in func_unpol() local
955 t3081 = t3080 * t254; in func_unpol()
957 … * t10 * t3069 * t254 - 0.51866196906027371780e-7 * t3074 * t3077 * t13 * t3081 + 0.30178326474622… in func_unpol()
1108 …* t345 * t346 * t1872 + 0.19449823839760264418e-7 * t3912 * t1356 * t13 * t3081 + 0.76698767248325… in func_unpol()
1163 … * t875 * t2424 * t336 - 0.72936839399100991567e-8 * t4687 * t489 * t13 * t3081 - 0.58700735337826… in func_unpol()
1455 double t3039, t3043, t3047, t3055, t3062, t3066, t3075, t3081; in func_ferr() local
2280 t3081 = t237 * t3016 * t3019; in func_ferr()
2287 …t3081 + 0.11000000e8 / 0.27e2 * t296 * t3020 + 0.3575000e7 / 0.27e2 * t135 * t3087 + 0.550000e6 / … in func_ferr()
2310 …9e1 * t129 * t3081 + 0.70000e5 / 0.3e1 * t3235 * t3066 + 0.140000e6 * t1717 * t3025 + 0.300000e6 *… in func_ferr()
2346 …3087 + 0.550000e6 / 0.9e1 * t3544 * t3029 + 0.3025000e7 / 0.9e1 * t1562 * t3081 + 0.6050000e7 / 0.… in func_ferr()
[all …]
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| H A D | mgga_x_task.c | 144 double t3033, t3036, t3037, t3040, t3044, t3054, t3081, t3082; in func_unpol() local
1198 …t3081 = -0.51458160000000000000e4 * t2599 * t3037 * t3040 + 0.11281212000000000000e5 * t860 * t304… in func_unpol()
1199 t3082 = my_piecewise3(t27, t3081, 0); in func_unpol()
3177 double t3078, t3081, t3084, t3087, t3092, t3093, t3096, t3099; in func_pol() local
4880 t3081 = t936 * t177; in func_pol()
4883 …1184 * t1187 + 0.26430889041115642572e5 * t369 * t3078 + 0.1349998650e5 * t3081 * t474 + 0.2699997… in func_pol()
5078 …* t3510 * t143 + 0.16908761064031528664e6 * t921 * t19 + 0.1349998650e5 * t3081 * t560 + 0.2699997… in func_pol()
6429 … * t943 * t7040 + 0.5399994600e5 * t943 * t352 * t2487 + 0.8099991900e5 * t3081 * t908 + 0.6749993… in func_pol()
6728 …* t2516 * t19 + 0.50726283192094585992e6 * t2510 * t19 + 0.4049995950e5 * t3081 * t1361 + 0.674999… in func_pol()
6858 …t10301 = 0.2699997300e5 * t943 * t10227 + 0.1349998650e5 * t3081 * t1522 + 0.1349998650e5 * t943 *… in func_pol()
[all …]
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| H A D | mgga_x_mggac.c | 2826 t3081 = t518 * t1635; in func_unpol()
2827 t3082 = t3081 * t3065; in func_unpol()
2832 t3089 = t3081 * t3055; in func_unpol()
3428 t4621 = t3081 * t4617; in func_unpol()
3432 t4626 = t3081 * t4625; in func_unpol()
3747 t5465 = t3081 * t5439; in func_unpol()
3749 t5468 = t3081 * t3102; in func_unpol()
3953 t6101 = t3081 * t6097; in func_unpol()
3957 t6106 = t3081 * t6105; in func_unpol()
4632 t8029 = t3081 * t4638; in func_unpol()
[all …]
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| H A D | mgga_c_m05.c | 181 double t3069, t3070, t3081, t3083, t3100, t3108, t3124, t3139; in func_unpol() local
1521 t3081 = t207 * t98; in func_unpol()
1523 …000000000000000e3 * t605 * t631 * t3081 * t3069 * t3083 + 0.29223822222222222222e3 * t306 * t446 *… in func_unpol()
1569 …666666666666e2 * t306 * t231 * t183 * t204 * t3081 * t1748 - 0.96000000000000000000e2 * t605 * t20… in func_unpol()
1624 …77 * t536 * t2053 + 0.17534293333333333333e2 * t306 * t71 * t183 * t204 * t3081 * t1828 - 0.823397… in func_unpol()
3078 double t3079, t3081, t3082, t3084, t3085, t3087, t3089, t3091; in func_pol() local
5810 t3081 = 0.38863375000000000000e-2 * t731 * t3079; in func_pol()
5822 v2tau2[2] = t3 * (t3081 - t3087 - t3091 + t3098); in func_pol()
9687 v3rhotau2[2] = t3 * t9735 + t3081 - t3087 - t3091 + t3098; in func_pol()
9777 v3rhotau2[5] = t3081 - t3087 - t3091 + t3098 + t3 * (t9796 + t9821); in func_pol()
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| H A D | hyb_mgga_x_pjs18.c | 1853 double t3079, t3080, t3081, t3083, t3086, t3092, t3104, t3106; in func_ferr() local
2864 t3081 = t3080 * t61; in func_ferr()
2880 …66 * t61 - 0.2e1 * t885 * t1227 - 0.3e1 / 0.2e1 * t2022 * t512 + 0.24e2 * t3081 - 0.36e2 * t3083 -… in func_ferr()
2916 …t3463 = 0.2640e4 * t3081 - 0.240e3 * t3086 + 0.36e2 * t1262 * t3436 + 0.42e2 * t1252 * t3436 - 0.7… in func_ferr()
3581 double t3074, t3076, t3081, t3090, t3093, t3096, t3097, t3098; in func_pol() local
5523 t3081 = t2937 * t66; in func_pol()
5525 … * t561 + 0.24e2 * t113 * t3076 + 0.240e3 * t593 * t876 + 0.240e3 * t91 * t3081 - 0.480e3 * t812 *… in func_pol()
7163 …1 + t2540 * t1681 / 0.2e1 - 0.2e1 * t412 * t69 * t8408 + 0.240e3 * t359 * t3081 + 0.240e3 * t91 * … in func_pol()
7348 …438 + 0.144e3 * t1286 * t9441 + 0.240e3 * t2121 * t876 + 0.480e3 * t593 * t3081 + 0.720e3 * t9435 … in func_pol()
7880 …t71 + 0.288e3 * t7735 * t2944 - 0.960e3 * t812 * t3004 + 0.480e3 * t836 * t3081 - 0.480e3 * t3462 … in func_pol()
[all …]
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| H A D | mgga_c_pkzb.c | 2617 double t3071, t3072, t3075, t3076, t3081, t3082, t3085, t3102; in func_pol() local
6017 t3081 = t913 * t913; in func_pol()
6018 t3082 = t1776 * t3081; in func_pol()
8878 t9213 = t5279 * t3081; in func_pol()
9145 t9992 = t3081 * t913; in func_pol()
10165 t12091 = t3441 * t3081; in func_pol()
14685 … + t26280 + t26315 + t26354) + 0.15805078039045227836e2 * t248 * t16081 * t3081 * t1777 + 0.526835… in func_pol()
15597 t33089 = t3081 * t3081; in func_pol()
16655 t38696 = t1055 * t3081; in func_pol()
16982 …t41095 = -0.78062653693846795158e1 * t10729 * t11555 * t3081 + 0.13010442282307799193e1 * t3445 * … in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_op_b88.c | 796 double t3074, t3075, t3076, t3077, t3078, t3081, t3082, t3085; in func_pol() local
2358 t3081 = t312 * t223; in func_pol()
2359 t3082 = t262 * t3081; in func_pol()
3318 …5000000000000000000e0 * t152 * t1897 + 0.13337606666666666667e0 * t1902 * t3081 * t424 - 0.8002564… in func_pol()
3322 …66666666667e0 * t1911 * t3081 * t436 + 0.24007692000000000000e1 * t7010 * t953 * t1345 + 0.4001282… in func_pol()
3829 …3333333334e0 * t1902 * t3081 * t621 + 0.26675213333333333334e0 * t1911 * t5980 * t3014 + 0.2667521… in func_pol()
4064 …337606666666666667e0 * t1902 * t3081 * t719 - 0.80025640000000000000e0 * t12015 + 0.13337606666666… in func_pol()
4142 t12631 = t786 * t3081; in func_pol()
4557 t15956 = t1010 * t3081; in func_pol()
4558 t15959 = t977 * t3081; in func_pol()
[all …]
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| H A D | gga_xc_th3.c | 582 double t3029, t3050, t3055, t3081, t3095, t3111, t3131, t3135; in func_pol() local
1757 t3081 = 0.1e1 / t94; in func_pol()
1759 … * t190 * t1347 - 0.64e2 / 0.9e1 * t190 * t1351 + 0.40e2 / 0.81e2 * t44 * t3081 * t2998 - 0.16e2 /… in func_pol()
1897 …/ 0.27e2 * t190 * t1604 + 0.16e2 * t190 * t1616 + 0.40e2 / 0.81e2 * t44 * t3081 * t286 * t1270 + 0… in func_pol()
1939 …t3807 = 0.40e2 / 0.81e2 * t44 * t3081 * t826 * t459 + 0.8e1 / 0.9e1 * t44 * t692 * t253 - 0.8e1 / … in func_pol()
2038 …t4205 = 0.32e2 / 0.81e2 * t190 * t2044 + 0.40e2 / 0.81e2 * t44 * t3081 * t1919 * t169 - 0.8e1 / 0.… in func_pol()
2092 …5 * t4437 + 0.16e2 / 0.9e1 * t56 * t702 * t1950 + 0.40e2 / 0.81e2 * t44 * t3081 * t4410 - 0.16e2 /… in func_pol()
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| H A D | gga_x_pw86.c | 638 double t3080, t3081, t3092, t3093, t3106, t3127, t3146, t3156; in func_pol() local
1798 t3081 = t1060 * t1199; in func_pol()
1802 …v4rho2sigma2[5] = t3080 + 0.56e2 / 0.675e3 * t3081 + 0.7e1 / 0.675e3 * t430 * t2713 * t506 * t297 … in func_pol()
1828 …v4rho2sigma2[11] = t3080 + 0.28e2 / 0.675e3 * t3081 + 0.28e2 / 0.675e3 * t3146 + 0.7e1 / 0.675e3 *… in func_pol()
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| H A D | gga_k_pw86.c | 580 double t2980, t3049, t3075, t3079, t3081, t3082, t3096, t3112; in func_pol() local
1710 t3081 = 0.203e3 / 0.3375e4 * t963 * t1146; in func_pol()
1715 …v4rhosigma3[0] = t3081 + 0.203e3 / 0.3375e4 * t179 * t3082 * t1145 * t89 - 0.8932e4 / 0.84375e5 * … in func_pol()
1749 …v4rhosigma3[10] = t3081 + 0.203e3 / 0.3375e4 * t179 * t3082 * t1145 * t139 - t3096 - 0.7e1 / 0.75e… in func_pol()
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| H A D | gga_c_op_pw91.c | 2428 t3081 = t965 * t3080; in func_pol()
2430 t3083 = t3081 * t3082; in func_pol()
3873 t10230 = t3081 * t969; in func_pol()
3875 t10254 = t3081 * t306; in func_pol()
3967 t10851 = t3081 * t10843; in func_pol()
3968 t10854 = t3081 * t10835; in func_pol()
4000 t10986 = t3081 * t10897; in func_pol()
4178 t11923 = t3081 * t11904; in func_pol()
4594 t15450 = t3081 * t15449; in func_pol()
4598 t15458 = t3081 * t15457; in func_pol()
[all …]
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| H A D | gga_x_n12.c | 1144 double t3072, t3074, t3075, t3076, t3077, t3081, t3083, t3084; in func_pol() local
2492 t3081 = t388 * t1121; in func_pol()
2493 t3083 = t996 * t997 * t3081; in func_pol()
3178 …2e1 * t7 * t203 * t2558 * t370 - t2187 * t2165 * t1112 * t8 / 0.3e1 - t996 * t2157 * t3081 / 0.2e1; in func_pol()
3185 t6662 = t996 * t2192 * t3081; in func_pol()
3211 …e1 / 0.8e1 * t6278 + t2171 * t926 * t3085 * t208 / 0.3e1 + t2187 * t997 * t3081 * t332 / 0.3e1 + t… in func_pol()
3225 …t6996 = 0.2e1 / 0.3e1 * t2187 * t997 * t1112 * t1121 - 0.2e1 * t996 * t2695 * t3081 - 0.2e1 / 0.3e… in func_pol()
3391 …1 / 0.2e1 * t8114 + t494 * t2186 * t641 * t3041 / 0.9e1 - t3316 * t3361 * t3081 / 0.2e1 - 0.2e1 / … in func_pol()
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| H A D | gga_c_cs1.c | 753 double t3039, t3042, t3046, t3048, t3050, t3076, t3081, t3089; in func_pol() local
2267 t3081 = 0.29083333333333333332e-1 * t520 * t99 * t1419; in func_pol()
2270 v4rhosigma3[1] = t3076 + t517 * t1420 / 0.4e1 + t3081 + t3089; in func_pol()
2309 v4rhosigma3[11] = t3076 + t541 * t1420 / 0.4e1 + t3081 + t3089; in func_pol()
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| H A D | gga_xc_th1.c | 567 double t3046, t3048, t3059, t3062, t3077, t3080, t3081, t3085; in func_pol() local
1647 t3081 = t96 * t3080; in func_pol()
1650 … + 0.4e1 * t285 * t1217 - 0.29e2 / 0.8e1 * t3077 * t91 - 0.35e2 / 0.9e1 * t3081 * t91 - 0.33e2 / 0… in func_pol()
2357 ….9e1 * t6072 * t6674 - 0.29e2 / 0.3e1 * t3077 * t170 - 0.280e3 / 0.27e2 * t3081 * t170 - 0.11e2 * … in func_pol()
2399 … t1247 - 0.29e2 * t3077 * t298 + 0.6e1 * t1230 * t839 - 0.280e3 / 0.9e1 * t3081 * t298 + 0.20e2 / … in func_pol()
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| H A D | gga_c_lyp.c | 560 double t3071, t3073, t3077, t3080, t3081, t3083, t3087, t3089; in func_pol() local
2008 t3081 = t1079 * t374; in func_pol()
2115 …3031 + t3071 - 0.112e3 / 0.27e2 * t3073 - t3077 + t3080 + 0.8e1 / 0.3e1 * t3081 + 0.32e2 / 0.9e1 *… in func_pol()
2304 …2 + t4309 + 0.2e1 / 0.9e1 * t4312 - 0.28e2 / 0.9e1 * t3073 - t3077 + t3080 + 0.4e1 / 0.3e1 * t3081; in func_pol()
2440 …t5145 = -t3077 + t3080 + 0.4e1 / 0.9e1 * t3081 + 0.16e2 / 0.9e1 * t3083 + t3087 - 0.2e1 / 0.9e1 * … in func_pol()
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| H A D | gga_c_lm.c | 859 double t3071, t3073, t3076, t3078, t3080, t3081, t3082, t3083; in func_pol() local
2260 t3081 = 0.10824628081150931252e0 * t3080; in func_pol()
2283 …t3117 = t3081 - t3083 + t3086 + t3090 + t3092 - t3095 + t3098 - t3101 + 0.2156e4 / 0.243e3 * t45 *… in func_pol()
2406 …t3335 = t3081 - t3083 + t3086 + t3090 + t3092 - t3095 + t3098 - t3101 - 0.7e1 / 0.27e2 * t280 * t7… in func_pol()
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| H A D | gga_x_htbs.c | 1178 double t3064, t3081, t3090, t3110, t3126, t3133, t3140, t3150; in func_pol() local
2425 t3081 = t607 * t2860 * t1412; in func_pol()
2426 …- 0.2e1 / 0.9e1 * t2895 - t2901 / 0.9e1 - t2908 / 0.9e1 - 0.7e1 / 0.9e1 * t3081 - t607 * t1416 * t… in func_pol()
2444 … 0.5e1 / 0.12e2 * t2821 + t3064 / 0.4e1 + t2651 + t2655 + t2840 + t2856 + t3081 / 0.3e1 - t3126 / … in func_pol()
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| H A D | gga_c_tca.c | 901 double t3075, t3078, t3080, t3081, t3084, t3086, t3093, t3104; in func_pol() local
2416 …t3081 = 0.73426695665086148895e-3 * t2825 + 0.18573928500847370456e-4 * t2828 + 0.2e-22 * t3066 - … in func_pol()
2420 …714e-1 * t3032 + 0.70476652135694176950e-3 * t3036 + t2790 + t2794 - t2798 + t3059 + t3081 + t3086; in func_pol()
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| H A D | gga_c_op_pbe.c | 809 double t3071, t3072, t3073, t3076, t3079, t3080, t3081, t3084; in func_pol() local
2524 t3081 = t1414 * t3080; in func_pol()
2542 …5709212255776563e-4 * t1963 * t3076 - 0.11888090348636317766e-2 * t1413 * t3081 - 0.11888090348636… in func_pol()
4254 t11209 = t5631 * t3081; in func_pol()
4256 …0310619e-7 * t3090 * t3091 * t11192 + 0.35664271045908953298e-2 * t5679 * t3081 - 0.23776180697272… in func_pol()
4266 …5709212255776563e-4 * t6575 * t2710 - 0.11888090348636317766e-2 * t5687 * t3081 - 0.11888090348636… in func_pol()
4528 …1553126e-4 * t1963 * t1969 * t12822 - 0.23776180697272635532e-2 * t6565 * t3081 - 0.23776180697272… in func_pol()
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| H A D | gga_c_scan_e0.c | 1547 double t3080, t3081, t3082, t3084, t3085, t3087, t3088, t3089; in func_pol() local
3553 t3081 = t124 * t3080; in func_pol()
3554 t3082 = t3078 * t3081; in func_pol()
5381 t9437 = t9436 * t3081; in func_pol()
5397 t9485 = t9484 * t3081; in func_pol()
5446 t9627 = t9626 * t3081; in func_pol()
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| H A D | gga_c_hcth_a.c | 1494 double t3078, t3081, t3083, t3086, t3088, t3089, t3091, t3093; in func_pol() local
3555 t3081 = t86 * t2990; in func_pol()
3556 t3083 = t2988 * t3081 * t2991; in func_pol()
4831 t6128 = t2988 * t3081 * t6041; in func_pol()
5854 … + 0.10e2 / 0.9e1 * t139 * t2988 * t9713 * t7289 - 0.2e1 * t139 * t1035 * t3081 * t7289 - 0.4e1 / … in func_pol()
7307 … 0.20e2 / 0.81e2 * t139 * t9404 * t9815 * t18365 - 0.2e1 * t139 * t1035 * t3081 * t18365 + 0.10e2 … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_4.c | 873 double t3073, t3075, t3081, t3083, t3084, t3089, t3090, t3091; in func_pol() local
2128 t3081 = t1120 * t281 * t78; in func_pol()
2135 …82 * t777 / 0.24e2 - t3073 - t3075 / 0.8e1 - t53 * t3018 * t78 / 0.24e2 - t3081 / 0.24e2 - t3084 -… in func_pol()
2189 …t3311 = -t3072 / 0.6e1 - t3075 / 0.12e2 - t3081 / 0.12e2 - t1611 * t220 / 0.12e2 - t730 * t558 / 0… in func_pol()
2215 …- t3225 / 0.4e1 - t3229 / 0.4e1 - t3232 / 0.8e1 - t3234 / 0.8e1 - t3073 - t3081 / 0.8e1 - t3084 - … in func_pol()
2239 …* t3033 - t3057 / 0.6e1 - t3203 / 0.4e1 - t3219 / 0.4e1 - t3229 / 0.2e1 - t3081 / 0.6e1 - t64 * t6… in func_pol()
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| H A D | lda_c_pk09.c | 153 double t3064, t3072, t3074, t3076, t3079, t3081, t3087, t3093; in func_unpol() local
1203 t3081 = t1135 * t2667; in func_unpol()
2452 double t3071, t3072, t3073, t3075, t3077, t3079, t3081, t3084; in func_pol() local
4409 t3081 = t632 * t633 * t3079; in func_pol()
4535 …1 * t3073 - 0.14222222222222222222e0 * t3077 - 0.42666666666666666666e0 * t3081 - 0.12833936766110… in func_pol()
4593 …2 * t3073 - 0.18253764301252687067e0 * t3077 - 0.54761292903758061200e0 * t3081 - 0.16000000000000… in func_pol()
4599 …t3640 = 0.4e1 / 0.3e1 * t3104 + 0.4e1 * t2973 - 0.4e1 / 0.9e1 * t2977 - 0.4e1 / 0.3e1 * t3081 - 0.… in func_pol()
4770 … * t3073 - 0.33961131963353213333e-1 * t3077 - 0.10188339589005964000e0 * t3081 - 0.30646056102413… in func_pol()
4825 … * t3073 - 0.67922263926706533333e-1 * t3077 - 0.20376679178011960000e0 * t3081 - 0.61292112204827… in func_pol()
4834 … * t3073 - 0.65472789830885733333e-1 * t3077 - 0.19641836949265720000e0 * t3081 - 0.59081740635261… in func_pol()
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| H A D | lda_c_ml1.c | 398 double t3041, t3044, t3047, t3064, t3081, t3082, t3085, t3088; in func_pol() local
1959 t3081 = t971 * t401; in func_pol()
1960 t3082 = t3081 * t32; in func_pol()
3257 t8220 = t3081 * t114; in func_pol()
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