| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_revtca.c | 1527 double t8959, t8960, t8961, t8963, t8968, t8969, t8971, t8974; in func_pol() local
5579 t8968 = t483 * t1903 * t2174; in func_pol()
5580 t8969 = 0.1e-22 * t8968; in func_pol()
5783 …2 + 0.10837946617917234798e-1 * t8974 + t9479 + t9464 + t9468 + 0.3e-22 * t8968 + 0.17340714588667… in func_pol()
5785 t9574 = 0.2e-22 * t8968; in func_pol()
5893 …t9873 = -0.18066570050258421288e0 * t9218 + 0.6e-22 * t8968 - t8555 - t8556 - t8557 + t8558 + t855… in func_pol()
5904 …t9941 = -0.45166425125646053224e-1 * t9218 + 0.4e-22 * t8968 - t9759 - t8862 - t8863 - t8864 - t81… in func_pol()
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| H A D | gga_c_acgga.c | 3007 double t8957, t8961, t8968, t8969, t8970, t8971, t8972, t8973; in func_pol() local
8243 t8968 = 0.34367190188705947437e1 * t180 * t642 * t191 * t2228; in func_pol()
8304 …t9268 = 0.36e2 * t90 * t4095 * t743 + t8939 + t8943 - t8945 + t8949 + t8952 + t8961 - t8968 - t897… in func_pol()
8407 …t9546 = -t8934 + t8939 + t8943 - t8945 + t8949 + t8952 + t8961 - t8968 - t8971 + t8973 - t8975 - t… in func_pol()
8762 …t10962 = t10948 + t10950 - t10952 + t10953 + t8961 - t10955 - t8968 + t10957 - t10959 + t10960 - t… in func_pol()
8990 …40 + t8949 + t10945 + t10948 + t10950 - t10952 + t10953 + t8961 - t10955 - t8968 + t10957 - t10959; in func_pol()
9277 …89 + t13829 - t13830 - t13831 - t13833 - t13834 + t13835 + t13836 - t13841 + t8949 + t8961 - t8968; in func_pol()
9341 …t14085 = -t8968 - t13845 - t13846 - t13847 - t13848 + t13849 - t13850 - t13851 + t9267 - t9273 - t… in func_pol()
9802 …t17919 = t8961 - t17139 - t8968 - t10960 + t10961 - t17140 - t10966 - t10967 + t9267 - t9273 - t92… in func_pol()
9973 …90 * t600 * t19608 - t19597 - t19598 + t19599 - t19607 - t19612 + t8961 - t8968 + t8971 + t9267 - … in func_pol()
[all …]
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| H A D | gga_c_q2d.c | 4238 double t8949, t8951, t8953, t8954, t8965, t8968, t8971, t8978; in func_pol() local
10828 t8968 = t2889 * t1236; in func_pol()
10834 …49 - 0.43368140941025997310e0 * t8965 * t775 + 0.86736281882051994620e0 * t8968 * t2434 + 0.433681… in func_pol()
11073 …49 - 0.43368140941025997310e0 * t8965 * t874 + 0.86736281882051994620e0 * t8968 * t2787 + 0.433681… in func_pol()
11301 …82 - 0.43368140941025997310e0 * t9694 * t775 + 0.17347256376410398924e1 * t8968 * t2892 + 0.867362… in func_pol()
16990 …t8968 * t7944 - 0.52041769129231196772e1 * t7931 * t2433 * t29357 - 0.13170898365871023197e1 * t89… in func_pol()
17693 …t8968 * t8987 + 0.86736281882051994620e0 * t2432 * t2433 * t6653 + 0.17347256376410398924e1 * t896… in func_pol()
17964 …t8968 * t9372 + 0.86736281882051994620e0 * t8971 * t9384 + 0.17347256376410398924e1 * t8968 * t939… in func_pol()
18151 …062653693846795158e1 * t7931 * t9017 * t2160 + 0.52041769129231196772e1 * t8968 * t9709 + 0.130104… in func_pol()
18154 …4 - 0.13010442282307799193e1 * t9694 * t2898 + 0.26020884564615598386e1 * t8968 * t9712 - 0.780626… in func_pol()
[all …]
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| H A D | gga_c_scan_e0.c | 1748 double t8961, t8962, t8963, t8964, t8965, t8966, t8967, t8968; in func_pol() local
5258 t8968 = 0.384e3 * t5287; in func_pol()
5260 …t8970 = -t8961 - t3840 - t8962 - t3858 + t8963 + t8964 - t8965 - t3863 - t8966 - t8967 + t8968 + t… in func_pol()
5282 …663 * t330 - t3840 - t3858 - t3863 - t8961 - t8962 + t8963 + t8964 - t8965 - t8966 - t8967 + t8968; in func_pol()
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| H A D | gga_x_hjs.c | 249 double t8835, t8850, t8890, t8936, t8944, t8946, t8965, t8968; in func_unpol() local
2073 …t8968 = -0.54519192000000000000e1 * t3886 * t363 - 0.105e3 / 0.8e1 * t4764 * t3744 - 0.105e3 / 0.4… in func_unpol()
2100 … * t1335 * t1504 - 0.4e1 * t1354 * t1504 - 0.6e1 * t3052 * t659 * t506 - (t8968 + t9042) * t239 * … in func_unpol()
4823 double t8948, t8949, t8955, t8968, t8971, t8982, t8985, t8990; in func_pol() local
9368 t8968 = t666 * t3110; in func_pol()
9372 … * t501 * t712 * t8634 + 0.8e1 / 0.27e2 * t1660 * t1779 * t2949 - 0.2e1 * t8968 * t768 + 0.2e1 * t… in func_pol()
13326 … t7329 * t3097 + 0.4e1 * t3094 * t5829 - 0.4e1 / 0.9e1 * t23091 - 0.4e1 * t8968 * t1857 - 0.2e1 * … in func_pol()
13364 …* t2621 * t9003 - 0.4e1 * t8789 * t1722 + 0.4e1 * t997 * t23118 + 0.4e1 * t8968 * t1760 - 0.4e1 * … in func_pol()
14113 …20824 - t20827 + 0.8e1 / 0.9e1 * t23128 + 0.2e1 * t997 * t26922 + 0.4e1 * t8968 * t3114 + 0.4e1 * … in func_pol()
14193 …t27504 = -0.4e1 * t8968 * t3117 - 0.2e1 * t997 * t27355 + 0.4e1 * t8710 * t27359 - 0.8e1 / 0.27e2 … in func_pol()
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| H A D | gga_c_ft97.c | 6290 double t8964, t8967, t8968, t8969, t8970, t8973, t8974, t8975; in func_pol() local
14763 t8968 = t133 * t8967; in func_pol()
22179 …+ 0.21895580739717983994e1 * t23527 * t26677 - 0.45306850413028723348e0 * t8968 * t26682 + 0.45306… in func_pol()
23653 …43 * t1291 + 0.45306850413028723348e0 * t5785 * t30195 - 0.45306850413028723348e0 * t8968 * t30187; in func_pol()
27270 …7335 * t40169 + 0.6e1 * t40174 * t132 * t139 + 0.14498192132169191472e2 * t8968 * t40180 + 0.14498… in func_pol()
36187 …889e0 * t23488 * t5570 * t422 * t2071 * t379 + 0.72490960660845957355e1 * t8968 * t94248 - 0.13592… in func_pol()
36223 … + 0.13592055123908617004e1 * t8979 * t94368 - 0.13592055123908617004e1 * t8968 * t94368 - 0.10001… in func_pol()
38203 … 0.48327307107230638238e1 * t23462 * t104486 - 0.90613700826057446696e0 * t8968 * t104598 + 0.9061… in func_pol()
40811 …t104377 + 0.37043333940329218110e-2 * t94488 - 0.45306850413028723348e0 * t8968 * t119154 + 0.2667… in func_pol()
40824 … 0.13592055123908617004e1 * t40319 * t119168 - 0.90613700826057446696e0 * t8968 * t119054 - 0.2222… in func_pol()
[all …]
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| H A D | gga_c_sogga11.c | 3222 double t8919, t8922, t8947, t8949, t8968, t8981, t8984, t9018; in func_pol() local
7523 t8968 = t2597 * t324; in func_pol()
7524 …- 0.41703950749999999998e-2 * t2274 * t2881 - 0.48654609208333333331e-2 * t8968 + 0.41703950749999… in func_pol()
7609 …* t7465 - 0.38923687366666666665e-1 * t8947 + 0.19461843683333333333e-1 * t8968 + 0.64872812277777… in func_pol()
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| H A D | gga_c_acggap.c | 4383 double t8955, t8958, t8963, t8968, t8969, t8973, t8975, t8976; in func_pol() local
10536 t8968 = t586 * t1625; in func_pol()
10537 t8969 = t2097 * t8968; in func_pol()
17935 …54491829355115987e0 * t36105 - 0.52041769129231196772e1 * t2096 * t7255 * t8968 * t447 - t29962 + … in func_pol()
17979 t36350 = 0.34694512752820797848e1 * t2088 * t2097 * t8968 * t306; in func_pol()
17982 t36361 = 0.34694512752820797848e1 * t2081 * t2097 * t8968 * t293; in func_pol()
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| H A D | gga_c_gaploc.c | 6521 double t8944, t8949, t8956, t8959, t8962, t8967, t8968, t8971; in func_pol() local
12196 t8968 = t2090 * t8967; in func_pol()
12202 …2 - 0.79445533226334281487e-1 * t979 * t2107 - 0.71500979903700853338e0 * t8968 * t2062 + 0.214502… in func_pol()
17021 …10360030234409652e2 * t7593 * t7594 * t26937 - 0.14300195980740170668e1 * t8968 * t5701 + 0.429005… in func_pol()
17057 …50293971110256002e1 * t2090 * t27278 * t2062 - 0.10725146985555128001e1 * t8968 * t5786 - 0.214502… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mn12.c | 3874 double t8948, t8953, t8954, t8957, t8958, t8967, t8968, t8971; in func_pol() local
6848 t8968 = t8967 * t1515; in func_pol()
6851 …t8968 - 0.1000e4 / 0.3e1 * t73 * t8972 - 0.200e3 / 0.3e1 * t67 * t8888 - 0.150e3 * t2000 * t8866 -… in func_pol()
6866 …t9136 = -0.500e3 / 0.3e1 * t185 * t8968 - 0.40e2 / 0.3e1 * t185 * t9003 - 0.50e2 / 0.3e1 * t179 * … in func_pol()
6874 … * t543 * t8888 - 0.40e2 / 0.3e1 * t543 * t8895 - 0.500e3 / 0.3e1 * t95 * t8968 - 0.40e2 / 0.3e1 *… in func_pol()
6889 …* t426 * t8888 - 0.40e2 / 0.3e1 * t426 * t8895 - 0.500e3 / 0.3e1 * t158 * t8968 - 0.40e2 / 0.3e1 *… in func_pol()
6897 …+ 0.4e-2 * t9313 * t162 + 0.120e3 * t46 * t8954 - 0.500e3 / 0.3e1 * t46 * t8968 - 0.1750e4 / 0.3e1… in func_pol()
6898 …3e1 * t4989 * t8866 - 0.400e3 * t1829 * t8888 - 0.2000e4 / 0.3e1 * t474 * t8968 + 0.200e3 * t52 * … in func_pol()
6913 …- 0.500e3 / 0.3e1 * t134 * t8968 - 0.200e3 / 0.3e1 * t5584 * t8866 - 0.400e3 * t1611 * t8888 - 0.2… in func_pol()
6915 …81 * t8958 - 0.500e3 / 0.3e1 * t4893 * t8888 - 0.2500e4 / 0.3e1 * t1805 * t8968 - 0.1250e4 * t481 … in func_pol()
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| H A D | mgga_x_edmgga.c | 3565 double t8861, t8876, t8907, t8949, t8964, t8968, t8972, t8989; in func_pol() local
6632 t8968 = t269 * t696; in func_pol()
6634 …9400e0 * t2133 * t706 * t8964 - 0.49846486874188679892e1 * t2137 * t711 * t8968 + 0.11432585570925… in func_pol()
7288 …376e0 * t7124 * t825 * t12615 + 0.10622921833547194700e0 * t2133 * t825 * t8968 + 0.24923243437094… in func_pol()
7296 …6684e3 * t1618 * t7776 * t4347 - 0.15243447427901234238e2 * t490 * t839 * t8968 + 0.70819478890314… in func_pol()
7303 t12713 = t3208 * t8968; in func_pol()
7414 …6684e3 * t1618 * t8264 * t4347 - 0.15243447427901234238e2 * t490 * t941 * t8968 - 0.76217237139506… in func_pol()
7418 …376e0 * t7124 * t927 * t12615 + 0.10622921833547194700e0 * t2133 * t927 * t8968 + 0.24923243437094… in func_pol()
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| H A D | mgga_x_tm.c | 213 double t8942, t8968, t8973, t8976, t8981, t8988, t8991, t9010; in func_unpol() local
1875 t8968 = t775 * t691; in func_unpol()
1882 … * t124 * t8968 + 0.36e2 * t124 * t8981 - 0.162e3 * t1502 * t2521 + 0.36e2 * t1718 * t782 + 0.1944… in func_unpol()
1885 …t9024 = (0.6e1 * t691 * t779 + t2462 + t2465 + t2660 + t2668 + t693 + t697 + 0.54e2 * t8968 + 0.54… in func_unpol()
1889 … t794 - 0.36e2 * t1705 * t2667 - 0.36e2 * t1769 * t2667 - 0.36e2 * t488 * t8968 + 0.1080e4 * t480 … in func_unpol()
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| H A D | mgga_x_rtpss.c | 3191 double t8968, t8971, t9029, t9063, t9093, t9107, t9113, t9123; in func_pol() local
6618 t8968 = t2788 * t3751; in func_pol()
6621 …58 + t2813 * t8960 * t2251 / 0.6e1 - t2804 * t1189 * t1620 * t9 / 0.2e1 + t8968 + t2831 * t2814 * … in func_pol()
6665 …/ 0.6e1 + 0.4e1 / 0.3e1 * t8936 + t8952 + 0.4e1 / 0.3e1 * t8958 + 0.2e1 * t8968 + 0.3e1 / 0.2e1 * … in func_pol()
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| H A D | mgga_x_task.c | 3338 double t8964, t8966, t8968, t8970, t8972, t8974, t8976, t8978; in func_pol() local
6706 t8968 = t3388 * t3471; in func_pol()
6716 ….45000000000000000000e2 * t8964 - 0.2e1 / 0.9e1 * t8966 - 0.4e1 / 0.3e1 * t8968 - 0.4e1 / 0.3e1 * … in func_pol()
6743 … * t515 * t1421 * t3618 - 0.13500000000000000000e3 * t8964 - 0.2e1 / 0.3e1 * t8966 - 0.4e1 * t8968; in func_pol()
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| H A D | mgga_c_b88.c | 2907 double t8963, t8964, t8968, t8976, t8991, t8996, t9009, t9015; in func_pol() local
8078 t8968 = t3100 * t578; in func_pol()
8079 …0000e0 * t368 * t1102 * t8964 - 0.16800000000000000000e0 * t368 * t1102 * t8968 - 0.13918875496296… in func_pol()
8153 …t9658 = 0.42000000000000000000e0 * t396 * t19 * t8968 - 0.42000000000000000000e0 * t390 * t8963 * … in func_pol()
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| H A D | mgga_x_revtm.c | 2518 double t8955, t8968, t8999, t9034, t9070, t9083, t9093, t9095; in func_ferr() local
4284 t8968 = t3190 * t117; in func_ferr()
4285 … - 0.108e3 * t368 * t8901 + 0.7776e4 * t6591 * t8968 - 0.1080e4 * t6595 * t8968 - 0.9720e4 * t6612… in func_ferr()
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| H A D | mgga_x_mbeefvdw.c | 8913 double t8950, t8952, t8954, t8963, t8964, t8965, t8968, t8973; in func_ferr() local
12284 t8968 = t264 * t80; in func_ferr()
12324 …5 - 0.49477808666666666667e0 * t8963 * t8965 + 0.10085272133333333333e1 * t8968 * t8965 - 0.521818… in func_ferr()
13566 …+ 0.43981379515317786922e-1 * t2912 * t5201 + 0.26263729513888888890e-2 * t8968 * t14504 + 0.14007… in func_ferr()
13798 …+ 0.34048779037037037037e-5 * t9636 * t15880 + 0.16808786888888888889e0 * t8968 * t15880 - 0.20544… in func_ferr()
14197 …78 * t4519 - 0.1973847762e-5 * t580 * t1938 - 0.21010983611111111112e-1 * t8968 * t16969 + 0.10307… in func_ferr()
16250 … 0.12768292138888888889e-5 * t9636 * t28327 - 0.63032950833333333335e-1 * t8968 * t28327 - 0.26718… in func_ferr()
16362 … t28962 + 0.45866361203703703704e-1 * t28969 + 0.16808786888888888889e0 * t8968 * t28971 - 0.82463… in func_ferr()
16371 … 0.26600608622685185185e-7 * t2963 * t28962 + 0.26263729513888888889e-2 * t8968 * t28951 - 0.12884… in func_ferr()
16644 …e0 * t30017 - 0.340722258e-8 * t378 * t8418 - 0.63032950833333333334e-1 * t8968 * t30200 + 0.30923… in func_ferr()
[all …]
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| H A D | mgga_xc_b98.c | 325 double t8897, t8900, t8902, t8905, t8961, t8964, t8967, t8968; in func_unpol() local
2896 t8968 = t8967 * t8693; in func_unpol()
2932 …* t12 * (-0.44768062626114359396e-9 * t8964 + 0.66597117956203179271e-8 * t8968 + 0.43247764837319… in func_unpol()
2935 … * t12 * (0.17907225050445743757e-8 * t8964 - 0.26638847182481271707e-7 * t8968 - 0.17299105934927… in func_unpol()
2938 …* t12 * (-0.71628900201782975030e-8 * t8964 + 0.10655538872992508682e-6 * t8968 + 0.69196423739711… in func_unpol()
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| H A D | mgga_x_vt84.c | 295 double t8958, t8961, t8968, t8974, t8985, t9007, t9016, t9031; in func_unpol() local
2623 t8968 = t551 * t2890; in func_unpol()
2624 … t3058 * t467 - 0.69329124409377045008e-2 * t3061 * t467 + 0.4e1 * t896 * t8968 * t225 + 0.3726000… in func_unpol()
2890 …4e2 * t896 * t6561 * t7584 - t3847 * t226 + t3847 * t219 + 0.4e1 * t896 * t8968 * t320 - 0.3726000… in func_unpol()
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| H A D | mgga_c_m06l.c | 5983 double t8962, t8964, t8966, t8968, t8970, t8972, t8974, t8976; in func_pol() local
12212 t8968 = t2539 * t2701; in func_pol()
12216 …1 * t8964 + 0.12500000000000000000e0 * t8966 + 0.12500000000000000000e0 * t8968 + 0.10000000000000… in func_pol()
18536 …1 * t8964 + 0.25000000000000000000e0 * t8966 + 0.25000000000000000000e0 * t8968 - 0.31090700000000… in func_pol()
19482 …1 * t8964 + 0.37500000000000000000e0 * t8966 + 0.37500000000000000000e0 * t8968 + t10086 - t10093 … in func_pol()
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| H A D | mgga_xc_b97mv.c | 4071 double t8927, t8943, t8953, t8960, t8961, t8967, t8968, t8980; in func_pol() local
9246 t8968 = t2934 * t653; in func_pol()
9247 …00000000e-3 * t1839 * t2949 * t1820 - 0.18509760000000000000e-2 * t8967 * t8968 + 0.33317568000000… in func_pol()
15170 …000000000e-2 * t1812 * t3677 * t1765 - 0.37019520000000000000e-2 * t662 * t8968 + 0.46891392000000… in func_pol()
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| H A D | mgga_k_pc07.c | 8244 double t8957, t8965, t8968, t8971, t8974, t8975, t8983, t8985; in func_pol() local
12443 t8968 = t703 * t2349 * t2345; in func_pol()
12453 …1912 * t747 * t8 * t704 / 0.3e1 + 0.2e1 / 0.3e1 * t8965 + 0.5e1 / 0.3e1 * t8968 - 0.2e1 / 0.9e1 * … in func_pol()
12481 …t9250 = 0.4e1 / 0.9e1 * t8965 - 0.8e1 / 0.9e1 * t8968 - 0.4e1 / 0.27e2 * t8971 - 0.8e1 / 0.27e2 * … in func_pol()
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| H A D | hyb_mgga_xc_wb97mv.c | 4413 double t8963, t8965, t8966, t8968, t8970, t8971, t8973, t8974; in func_pol() local
10259 t8968 = t1023 * t2267; in func_pol()
10284 …t9035 = -0.31090700000000000000e-1 * t8966 - 0.15545350000000000000e-1 * t8968 - 0.155453500000000… in func_pol()
15847 …* t8963 - 0.93272100000000000000e-1 * t8966 - 0.46636050000000000000e-1 * t8968 - 0.46636050000000… in func_pol()
17969 …* t8963 - 0.62181400000000000000e-1 * t8966 - 0.31090700000000000000e-1 * t8968 - 0.31090700000000… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 4357 double t8968, t8971, t8977, t8980, t8983, t8986, t8987, t8990; in func_pol() local
7409 t8968 = t8895 * t3442; in func_pol()
7412 … 0.6e1 * t8960 * t1103 - 0.3e1 * t8964 * t8965 + 0.10e2 / 0.3e1 * t8964 * t8968 - t8971 * t111 * t… in func_pol()
7732 …0 + 0.2e1 * t9635 - 0.3e1 * t9649 - 0.3e1 * t10144 * t409 * t137 + 0.10e2 / 0.3e1 * t10149 * t8968; in func_pol()
8343 …t12130 = 0.10e2 / 0.3e1 * t12099 * t8968 - 0.4e1 * t12105 * t1092 - 0.6e1 * t1592 * t12115 + 0.2e1… in func_pol()
8857 ….6e1 * t9612 - t9626 - 0.3e1 * t14139 * t8965 + 0.10e2 / 0.3e1 * t14139 * t8968 - 0.4e1 * t14145 *… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_ksdt.c | 2684 double t8960, t8961, t8963, t8964, t8967, t8968, t8971, t8974; in func_pol() local
8187 t8968 = t2287 * t8967; in func_pol()
8195 …t8990 = -t8959 + t3629 * t8961 - t8964 * t879 / 0.2e1 - t8968 * t844 / 0.2e1 - t8971 * t879 / 0.2e… in func_pol()
12423 t22064 = t8968 * t2156; in func_pol()
12626 …t22715 = t22686 / 0.4e1 + 0.3e1 / 0.2e1 * t8968 * t1990 + t22691 + 0.3e1 / 0.4e1 * t3431 * t19455 … in func_pol()
15012 …t33136 = t1191 * t6475 * t123 * t9180 / 0.2e1 - t9182 * t3418 / 0.2e1 + t8968 * t3418 - t11956 * t… in func_pol()
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