| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_edmgga.c | 3453 double t3532, t3536, t3539, t3542, t3545, t3546, t3548, t3549; in func_pol() local
5329 t3536 = t1983 * t1617 * t374; in func_pol()
6944 …0052e3 * t3536 * t9910 + 0.20977047095244633368e3 * t10452 * t3330 + 0.20977047095244633368e3 * t3… in func_pol()
7101 …t3536 * t9909 * t9848 - 0.22865171141851851356e2 * t11398 * t995 - 0.22865171141851851356e2 * t391… in func_pol()
7500 …368e3 * t13355 * t3330 + 0.31465570642866950052e3 * t3536 * t12947 + 0.20977047095244633368e3 * t3… in func_pol()
7731 …t3536 * t13899 + 0.10488523547622316684e3 * t14567 * t3330 + 0.10488523547622316684e3 * t13355 * t… in func_pol()
7830 …3 * t15116 * t3330 + 0.20977047095244633368e3 * t3536 * t3329 * t15000 + 0.20977047095244633368e3 … in func_pol()
7959 …t3536 * t9909 * t15842 + 0.20977047095244633368e3 * t3536 * t3329 * t10929 - 0.2405604697348400930… in func_pol()
8034 …3 * t15116 * t3944 + 0.20977047095244633368e3 * t3536 * t3329 * t16394 + 0.20977047095244633368e3 … in func_pol()
8500 ….31465570642866950052e3 * t3536 * t9909 * t12857 + 0.20977047095244633368e3 * t3536 * t18002 + 0.1… in func_pol()
[all …]
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| H A D | mgga_x_m11.c | 4891 t3543 = t528 * t3536; in func_pol()
4892 t3548 = t1517 * t3536; in func_pol()
4893 t3551 = t115 * t3536; in func_pol()
4894 t3556 = t121 * t3536; in func_pol()
4895 t3561 = t127 * t3536; in func_pol()
4896 t3566 = t133 * t3536; in func_pol()
4897 t3571 = t139 * t3536; in func_pol()
4898 t3576 = t145 * t3536; in func_pol()
4900 t3580 = t151 * t3536; in func_pol()
4901 t3583 = t157 * t3536; in func_pol()
[all …]
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| H A D | mgga_x_tau_hcth.c | 1435 double t3513, t3517, t3524, t3527, t3530, t3533, t3536, t3539; in func_pol() local
3249 t3536 = t8 * t639 * t1641; in func_pol()
3253 …t3085 + t3524 / 0.27e2 - t3527 / 0.6e1 - t3530 / 0.6e1 + t3533 / 0.27e2 - t3536 / 0.6e1 - t3539 / … in func_pol()
3269 … t3527 - 0.2e1 / 0.3e1 * t3530 + 0.4e1 / 0.27e2 * t3533 - 0.2e1 / 0.3e1 * t3536 - 0.2e1 * t3539 - … in func_pol()
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| H A D | mgga_x_regtpss.c | 4495 double t3532, t3535, t3536, t3537, t3541, t3557, t3562, t3563; in func_ferr() local
6219 t3536 = t108 * t3535; in func_ferr()
6225 …753e0 * t3529 - 0.10415043499865038672e-1 * t3532 * t1847 - 0.3878496e1 * t3536 * t978 * t3537 - 0… in func_ferr()
7369 …t3536 * t978 * t312 * t531 - 0.84597793854656461450e0 * t874 * t9546 * t182 + 0.125e3 / 0.162e3 * … in func_ferr()
7374 …t9620 = -0.7756992e1 * t3536 * t978 * t8533 - 0.10638111398247031105e-1 * t9022 * t3464 * t70 + 0.… in func_ferr()
7576 …1143 - 0.44560662306107958525e-1 * t2639 * t3707 * t2640 - 0.15513984e2 * t3536 * t4194 * t215 * t… in func_ferr()
7809 …12464 * t182 + 0.15513984e2 * t9431 * t978 * t1008 * t215 - 0.7756992e1 * t3536 * t978 * t312 * t7… in func_ferr()
7816 … 0.59937729880653245204e-3 * t13067 * t382 * t523 * sigma[0] - 0.7756992e1 * t3536 * t3486 * t3537; in func_ferr()
7891 …992e1 * t3536 * t4194 * t312 * t938 - 0.3878496e1 * t3536 * t3707 * t3537 - 0.42298896927328230725… in func_ferr()
8153 …254 * t4238 + 0.39056413124493895019e-2 * t4255 * t15275 - 0.11635488e2 * t3536 * t978 * t1064 * t… in func_ferr()
[all …]
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| H A D | mgga_x_mbeef.c | 28359 double t3527, t3529, t3531, t3536, t3537, t3544, t3546, t3548; in func_pol() local
32406 …t3536 = 0.315e3 / 0.2e1 * t3525 + 0.315e3 / 0.8e1 * t3527 - 0.105e3 / 0.2e1 * t3529 - 0.105e3 / 0.… in func_pol()
32407 t3537 = t3536 * t332; in func_pol()
32514 …t3886 = -0.188495102e-1 * t3536 * t356 + 0.694482484e-8 * t3554 * t375 - 0.896771404e-2 * t3536 * … in func_pol()
34538 t12096 = t3536 * t312; in func_pol()
34821 …t3536 * t1083 + 0.602035248e0 * t492 * t12369 - 0.2607860760e0 * t397 * t12369 - 0.975831450e-1 * … in func_pol()
36001 …88e-7 * t17020 * t362 - 0.676256376e-7 * t5662 * t1071 - 0.896771404e-2 * t3536 * t1834 + 0.339308… in func_pol()
36117 …80e-6 * t3569 * t1794 - 0.276524680e-6 * t17020 * t356 - 0.376702959e-7 * t3536 * t1861 - 0.774224… in func_pol()
42068 …4e-1 * t3536 * t3645 + 0.3586957864e-2 * t12172 * t1071 + 0.896739466e-3 * t42794 * t362 - 0.18291… in func_pol()
42101 t43933 = t3536 * t311; in func_pol()
[all …]
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| H A D | mgga_x_mbeefvdw.c | 178 double t3521, t3529, t3531, t3533, t3534, t3536, t3537, t3540; in func_unpol() local
2215 t3536 = t203 * t54 * t689; in func_unpol()
2216 t3537 = t3534 * t3536; in func_unpol()
2220 t3544 = t3543 * t3536; in func_unpol()
2224 t3551 = t3550 * t3536; in func_unpol()
2227 t3556 = t3555 * t3536; in func_unpol()
5437 …t3536 + 0.16492602888888888889e0 * t5557 * t3540 + 0.53437376111111111112e-1 * t189 * t16252 * t35… in func_unpol()
5487 t16746 = t8984 * t1975 * t3536; in func_unpol()
5567 t16916 = t8988 * t1975 * t3536; in func_unpol()
5710 t17218 = t8866 * t1975 * t3536; in func_unpol()
[all …]
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| H A D | hyb_mgga_x_pjs18.c | 3598 double t3513, t3516, t3517, t3521, t3523, t3526, t3534, t3536; in func_pol() local
5697 t3536 = t68 * t3431; in func_pol()
5702 …0.1105920e7 * t119 * t3431 - 0.8e1 * t3431 + 0.1536e4 * t3534 + 0.768e3 * t3536 - 0.11520e5 * t353… in func_pol()
7665 t10712 = t3536 * t317; in func_pol()
7856 t11560 = t3536 * t561; in func_pol()
11005 t31291 = t3536 * t1138; in func_pol()
11050 …8 + 0.808290e6 * t3569 * t1138 + 0.161658e6 * t3571 * t1138 - 0.34560e5 * t3536 * t1144 + 0.323316… in func_pol()
11263 …t33592 = -0.69120e5 * t3534 * t1616 - 0.34560e5 * t3536 * t1616 + 0.808290e6 * t3540 * t1616 - 0.3… in func_pol()
11274 t33681 = t3536 * t1609; in func_pol()
11510 t35566 = t3536 * t2054; in func_pol()
[all …]
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| H A D | mgga_x_revtm.c | 2451 double t3514, t3517, t3522, t3525, t3526, t3532, t3536, t3537; in func_ferr() local
3708 t3536 = 0.1e1 / t32 / t140; in func_ferr()
3709 t3537 = sigma[0] * t3536; in func_ferr()
3741 …e3 * t3673 * t16 * t99 + 0.380875e6 / 0.177147e6 * t3544 + 0.26180e5 / 0.243e3 * t75 * t76 * t3536; in func_ferr()
4528 …+ 0.11111111111111111111e1 * t3422 * t1701 + 0.37037037037037037034e0 * t467 * t3536 * t25 * t9878; in func_ferr()
4737 double t3529, t3530, t3531, t3533, t3534, t3535, t3536, t3540; in func_pol() local
6647 t3536 = t3535 * t934; in func_pol()
6653 …/ 0.3e1 * t3175 - t3179 - t3181 / 0.2e1 - 0.2e1 / 0.3e1 * t3531 - t3534 * t3536 / 0.6e1 - t468 * t… in func_pol()
8622 t10149 = 0.4e1 / 0.9e1 * t10147 * t3536; in func_pol()
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| H A D | mgga_x_mvsb.c | 2457 double t3524, t3529, t3534, t3535, t3536, t3539, t3542, t3547; in func_pol() local
4705 t3536 = t3535 * t192; in func_pol()
4731 …3529 / 0.32e2 + 0.5e1 / 0.16e2 * t164 * t1274 - 0.45e2 / 0.64e2 * t3534 * t3536 + 0.5e1 / 0.16e2 *… in func_pol()
6337 …t9966 = -0.45e2 / 0.32e2 * t164 * t1632 * t3536 - 0.45e2 / 0.32e2 * t3534 * t1073 * t314 * t192 + … in func_pol()
6965 …t1027 + 0.5e1 / 0.24e2 * t9958 * t3524 - 0.45e2 / 0.32e2 * t361 * t1632 * t3536 - 0.45e2 / 0.512e3… in func_pol()
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| H A D | mgga_x_pbe_gx.c | 2608 double t3535, t3536, t3538, t3541, t3543, t3546, t3548, t3549; in func_pol() local
4908 t3536 = t3535 * t3309; in func_pol()
4910 …t3541 = 0.49485596707818930039e-1 * t1185 + 0.11419753086419753086e0 * t3536 + 0.11419753086419753… in func_pol()
6613 … * t3005 + (0.13196159122085048011e1 * t1185 + 0.60905349794238683128e1 * t3536 + 0.20301783264746… in func_pol()
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| H A D | mgga_x_m06l.c | 2855 double t3536, t3538, t3541, t3543, t3545, t3547, t3549, t3550; in func_pol() local
4533 t3536 = t1345 * t3535; in func_pol()
4545 …0.4481424e-1 * t3530 - 0.1120356e-1 * t3533 - 0.19917440000000000000e-1 * t3536 + 0.6e1 * t613 * t… in func_pol()
6040 … * t3530 + 0.11203560000000000000e0 * t3533 + 0.99587200000000000001e-1 * t3536 + 0.44814240000000… in func_pol()
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| H A D | mgga_x_ms.c | 140 double t3530, t3533, t3536, t3544, t3549, t3553, t3556, t3572; in func_unpol() local
1183 t3536 = t384 * t147; in func_unpol()
1191 … + 0.50e2 / 0.27e2 * t3533 * t101 + 0.31250e5 / 0.6561e4 * t2771 * t944 * t3536 + 0.625e3 / 0.486e… in func_unpol()
1199 … * t944 * t384 * t290 * t1092 * t99 + 0.625e3 / 0.243e3 * t2138 * t1345 * t3536 * t115 + 0.25e2 / … in func_unpol()
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| H A D | mgga_c_m05.c | 185 double t3493, t3501, t3512, t3536, t3552, t3572, t3589, t3652; in func_unpol() local
1557 …t3536 = -0.20000000000000000001e2 * t1053 * t1511 + 0.39928231474999999998e-3 * t508 * t3347 * t51… in func_unpol()
1558 …t1530 + rho[0] * (t3235 + t3329 + t3363 + t3400 + t3436 + t3472 + t3501 + t3536) + 0.3e1 * t1579 +… in func_unpol()
3109 double t3534, t3535, t3536, t3537, t3539, t3540, t3541, t3542; in func_pol() local
6047 t3536 = t975 * t3535; in func_pol()
6048 t3537 = t204 * t3536; in func_pol()
10275 t10641 = t495 * t3536; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_vmt84.c | 925 double t3468, t3477, t3515, t3521, t3522, t3524, t3536, t3546; in func_pol() local
2134 t3536 = t355 * t1448; in func_pol()
2136 …t3536 * t1953 / 0.46656e5 + t372 * t3536 * t1959 / 0.15552e5 + t915 * t3536 * t1931 / 0.7776e4 - 0… in func_pol()
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| H A D | gga_c_lyp.c | 572 double t3523, t3527, t3532, t3536, t3537, t3541, t3543, t3546; in func_pol() local
2103 t3536 = 0.8e1 / 0.9e1 * t381 * t1289 * t387; in func_pol()
2113 ….3e1 / 0.16e2 * t3480 + t3483 / 0.8e1 + t3527) - 0.32e2 / 0.9e1 * t3532 - t3536 + 0.4e1 / 0.9e1 * … in func_pol()
2305 …/ 0.3e1 * t3092 - 0.2e1 / 0.3e1 * t3095 - t3100 - 0.8e1 / 0.3e1 * t3532 - t3536 + t3537 / 0.3e1 + … in func_pol()
2440 … 0.9e1 * t3092 - 0.4e1 / 0.9e1 * t3095 - t3100 - 0.16e2 / 0.9e1 * t3532 - t3536 + 0.2e1 / 0.9e1 * … in func_pol()
2542 …- 0.2e1 / 0.9e1 * t3095 - t3100 + t5763 / 0.3e1 - 0.8e1 / 0.9e1 * t3532 - t3536 + t3537 / 0.9e1 + … in func_pol()
2592 …t6145 = -t3077 + t3080 + t3087 - t3100 + 0.4e1 / 0.3e1 * t5763 - t3536 + t3541 + t3552 + t3555 - t… in func_pol()
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| H A D | gga_c_p86.c | 997 double t3532, t3534, t3535, t3536, t3537, t3538, t3539, t3542; in func_pol() local
2692 t3536 = 0.19204957406250000000e-1 * t3502; in func_pol()
2695 … t3530 - t3531 - t3532 + 0.60968118750000000000e-3 * t3490 + t3534 + t3535 - t3536 - t3537 + t3538; in func_pol()
2745 …t3605 = t3534 - t3536 - t3601 + t3602 - 0.16520495572951562500e-6 * t3578 + 0.60968118750000000000… in func_pol()
2780 …25000000000e-3 * t3634 + 0.24780743359427343750e-6 * t3636 - t3532 + t3534 + t3535 - t3536 + t3538; in func_pol()
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| H A D | gga_c_acgga.c | 2709 double t3517, t3521, t3525, t3529, t3533, t3536, t3538, t3542; in func_pol() local
5777 t3536 = t352 * t777; in func_pol()
5779 …- 0.10289764348336736874e-1 * t2848 * t3533 + 0.51448821741683684367e-2 * t3536 * t3538 - 0.200078… in func_pol()
6351 …t4886 = 0.51448821741683684367e-2 * t3536 * t4839 + 0.85748036236139473944e-3 * t768 * t4843 - 0.1… in func_pol()
9147 …525526549e-2 * t3536 * t779 * t4837 * t2476 + 0.77173232612525526551e-2 * t3536 * t779 * t3160 * t… in func_pol()
9401 …911579156e-2 * t2848 * t779 * t3897 * t3575 + 0.51448821741683684367e-2 * t3536 * t779 * t4837 * t… in func_pol()
9411 …t11374 + 0.20007875121765877254e-2 * t14550 - 0.20579528696673473747e-1 * t3536 * t779 * t14552 * … in func_pol()
9461 … t14166 + 0.11337795902333997111e0 * t14807 + 0.10289764348336736874e-1 * t3536 * t779 * t3160 * t… in func_pol()
9476 …49607247227894789e-2 * t778 * t6791 * t3220 - 0.20579528696673473748e-1 * t3536 * t770 * t8313 * t… in func_pol()
9484 …t3536 * t3215 * t4838 - 0.17149607247227894789e-2 * t778 * t3215 * t4774 + 0.13719685797782315831e… in func_pol()
[all …]
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| H A D | gga_c_wl.c | 514 double t3517, t3518, t3523, t3525, t3534, t3536, t3538, t3543; in func_pol() local
2113 t3536 = t243 * t1075; in func_pol()
2114 …000e0 * t126 * t315 * t758 - 0.18003000000000000000e-1 * t3534 + 0.72012000000000000000e-1 * t3536; in func_pol()
2264 …* t3525 - 0.90015000000000000000e-2 * t3534 + 0.36006000000000000000e-1 * t3536 + t3676 - t3677 + … in func_pol()
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| H A D | gga_x_pbetrans.c | 1363 double t3495, t3499, t3518, t3522, t3529, t3533, t3536, t3543; in func_pol() local
2690 t3536 = t73 * t1368; in func_pol()
2697 …* t62 * (t77 * (t3476 + t3533) + 0.36711111111111111112e0 * t173 * t176 * t3536 - 0.12848888888888… in func_pol()
2812 …t4232 = -0.34416666666666666667e-1 * t173 * t234 * t3536 - 0.32122222222222222222e0 * t173 * t1632… in func_pol()
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| H A D | gga_x_q2d.c | 1169 double t3491, t3500, t3510, t3536, t3539, t3541, t3546, t3549; in func_pol() local
3086 …t3536 = t2816 / 0.27e2 - t3099 / 0.3e1 + 0.4e1 / 0.9e1 * t3105 - 0.2e1 / 0.3e1 * t3109 + 0.41e2 / … in func_pol()
3120 ….432e3 - t1421 / 0.432e3 + t1425 / 0.32e2 + t9 * (t3455 + t3491 + t3510 + t3536 + t3591 + t3640 + … in func_pol()
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| H A D | gga_xc_b97.c | 1782 double t3532, t3533, t3534, t3536, t3538, t3541, t3547, t3550; in func_pol() local
4145 t3536 = 0.96490945932906628932e2 * t3533 * t3534; in func_pol()
4151 …54934665110259479823e-3 * t3483 + t3488 - t3491 - t3495 + t3521 + t3530 - t3536 + 0.19751789702565… in func_pol()
4280 … * t129 * t1369 * t1402 - t3481 - t3488 + t3491 + t3495 - t3521 - t3530 + t3536 + 0.96494049533612… in func_pol()
4913 …t5077 = t3521 + t3530 - t3536 - 0.30000000000000000000e1 * t1067 * t5023 - t3561 + 0.1000000000000… in func_pol()
5231 …* t1054 * t5962 - t3477 + t3481 + t3488 - t3491 - t3495 + t3521 + t3530 - t3536 - 0.32164683177870… in func_pol()
5432 …t6441 = 0.3e1 * t5793 - t3473 - t3477 + t3481 + t3488 - t3491 - t3495 + t3521 + t3530 - t3536 - t3… in func_pol()
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| H A D | gga_c_pw91.c | 1979 double t3534, t3536, t3539, t3541, t3543, t3547, t3550, t3552; in func_pol() local
4572 t3536 = t310 * t107 * t2868; in func_pol()
4574 …76173768327e0 * t2642 - t2661 + t3534 - 0.17386322979577515709e0 * t369 * t3536 - 0.79937384407271… in func_pol()
6873 t9226 = t1006 * t3536; in func_pol()
8379 t15655 = t542 * t3536; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 931 double t3529, t3532, t3533, t3536, t3537, t3540, t3541, t3544; in func_pol() local
2656 t3536 = t1521 * t178; in func_pol()
2657 t3537 = t2785 * t3536; in func_pol()
2669 …0.27e2 * t2730 + 0.4e1 / 0.81e2 * t3566 - 0.8e1 / 0.81e2 * t220 * t2046 * t3536 + 0.8e1 / 0.27e2 *… in func_pol()
2685 t3629 = t2938 * t3536; in func_pol()
2691 ….27e2 * t2903 - 0.2e1 / 0.81e2 * t3645 + 0.10e2 / 0.81e2 * t202 * t1989 * t3536 - 0.8e1 / 0.27e2 *… in func_pol()
2701 t3698 = t2992 * t3536; in func_pol()
3973 t9216 = t202 * t656 * t3536; in func_pol()
3988 t9316 = t220 * t564 * t3536; in func_pol()
4256 …4e1 / 0.81e2 * t1119 * t1163 * t11251 - 0.28e2 / 0.81e2 * t1119 * t9645 * t3536 + 0.16e2 / 0.27e2 … in func_pol()
[all …]
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| H A D | lda_x_erf.c | 537 double t3528, t3532, t3536, t3539, t3540, t3541, t3546, t3550; in func_pol() local
1994 …t3536 = t1475 - 0.16e2 / 0.81e2 * t1889 + 0.16e2 / 0.243e3 * t2195 + 0.4e1 / 0.27e2 * t3210 - 0.16… in func_pol()
1995 t3539 = t7 * t79 * t18 * t3536; in func_pol()
3048 …t10046 = -t7558 / 0.8e1 - t115 * t201 * t3536 * t202 / 0.8e1 + t7579 / 0.36e2 - 0.3e1 / 0.8e1 * t1… in func_pol()
3049 t10050 = t7 * t79 * t54 * t3536; in func_pol()
3082 …t10504 = t4277 - 0.5e1 / 0.36e2 * t4926 - t9890 / 0.2e1 - t115 * t201 * t3536 * t323 / 0.2e1 - t11… in func_pol()
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| H A D | lda_c_pk09.c | 2473 double t3513, t3514, t3515, t3529, t3536, t3537, t3538, t3539; in func_pol() local
4575 t3536 = 0.15839084132050687973e2 * t3114; in func_pol()
4577 …33e1 * t2961 - 0.26398473553417813288e1 * t2965 - 0.39597710330126719933e1 * t2968 + t3536 + t3537; in func_pol()
5876 …195420660253439867e1 * t2955 - 0.26398473553417813289e1 * t2957 - t3529 + t3536 + t3537 - 0.263984… in func_pol()
6756 …7574 + 0.79195420660253439866e1 * t7602 - 0.79195420660253439866e1 * t7607 - t3529 + t3536 + t3537; in func_pol()
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