| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_op_b88.c | 838 double t3985, t3988, t3989, t3992, t3993, t3996, t4003, t4010; in func_pol() local
2726 t3988 = t318 * t847; in func_pol()
2727 t3989 = t262 * t3988; in func_pol()
3815 …t10611 = 0.80025640000000000000e0 * t1902 * t3988 * t372 + 0.24007692000000000000e1 * t1902 * t105… in func_pol()
4066 …t3988 * t424 + 0.40012820000000000000e0 * t1902 * t3988 * t431 + 0.60019230000000000000e0 * t1911 … in func_pol()
4264 …0.40012820000000000000e0 * t10356 * t3931 * t528 + 0.80025640000000000000e0 * t1902 * t3988 * t528; in func_pol()
4513 …t3988 * t687 + 0.60019230000000000000e0 * t1911 * t10514 * t3201 - 0.40012820000000000000e0 * t191… in func_pol()
4691 t16843 = t786 * t3988; in func_pol()
4706 …00000000000e0 * t1911 * t3988 * t800 - 0.13337606666666666667e0 * t932 * t3931 * t800 + 0.40012820… in func_pol()
4887 t18629 = t977 * t3988; in func_pol()
[all …]
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| H A D | gga_c_lm.c | 915 double t3983, t3988, t3990, t3992, t3998, t4001, t4002, t4004; in func_pol() local
2758 t3988 = t3864 * t233; in func_pol()
2760 …- t3881 + 0.40592355304315992195e-1 * t3883 + 0.29293143273810322975e-1 * t3988 - 0.58586286547620… in func_pol()
2770 t4008 = 0.58586286547620645950e-1 * t3988; in func_pol()
2784 t4027 = 0.11717257309524129190e0 * t3988; in func_pol()
2810 …1 * t4039 + 0.16236942121726396878e0 * t4041 + 0.23434514619048258380e0 * t3988 - 0.46869029238096… in func_pol()
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| H A D | gga_x_ev93.c | 959 double t3953, t3969, t3970, t3973, t3976, t3981, t3986, t3988; in func_pol() local
2606 t3988 = t170 * t3986 * t173; in func_pol()
2614 …t4024 = t801 * t581 * t803 / 0.9e1 - t3981 / 0.6e1 - t374 * t581 * t842 / 0.2e1 + t3988 / 0.3e1 - … in func_pol()
2671 …e2 - t3998 + t7 * t1031 * t270 / 0.2e1 - t3981 / 0.18e2 + 0.2e1 / 0.9e1 * t3988 - t3991 / 0.6e1 + … in func_pol()
2700 …t4458 = t4202 / 0.6e1 - t4432 / 0.8e1 - t3998 + t3988 / 0.9e1 + t4023 + 0.2e1 / 0.9e1 * t4211 - t4… in func_pol()
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| H A D | gga_x_lv_rpw86.c | 1096 double t3926, t3943, t3950, t3951, t3963, t3978, t3988, t4015; in func_pol() local
2494 t3988 = t1491 * t1833; in func_pol()
2496 …- t1495 * t420 * t797 * t468 / 0.6e1 + t1505 * t652 * t797 * t8 / 0.2e1 - t3988 / 0.2e1 - t257 * t… in func_pol()
2531 …v4rho2sigma2[17] = -t3950 - 0.4e1 / 0.3e1 * t3978 - t3988 - t257 * t465 * t797 * t502 / 0.6e1 - t2… in func_pol()
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| H A D | gga_x_pbetrans.c | 1369 double t3966, t3970, t3976, t3979, t3982, t3985, t3988, t3992; in func_pol() local
2741 t3988 = t7 * t96 * t1397; in func_pol()
2745 …- t3979 / 0.2e1 - 0.2e1 / 0.3e1 * t3982 - 0.2e1 / 0.3e1 * t3985 - 0.2e1 * t3988 + t3992 - 0.4e1 * … in func_pol()
2767 …/ 0.3e1 - 0.2e1 / 0.9e1 * t3982 - 0.4e1 / 0.9e1 * t3985 - 0.2e1 / 0.3e1 * t3988 + t3992 - 0.4e1 / … in func_pol()
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| H A D | gga_x_sogga11.c | 1498 double t3968, t3973, t3978, t3988, t4020, t4033, t4042, t4051; in func_pol() local
2982 t3988 = -0.12e2 * t1087 - 0.12e2 * t2917; in func_pol()
2983 …t3988 / 0.2e1 + 0.4e1 / 0.9e1 * t7 * t1030 * t267 * t1539 - 0.3e1 * t7 * t192 * t721 * t598 - 0.2e… in func_pol()
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| H A D | gga_xc_th2.c | 533 double t3988, t4008, t4010, t4012, t4014, t4015, t4017, t4019; in func_pol() local
1858 …t3988 = -0.25687991666666666666e0 * t33 * t1776 + 0.73486500000000000000e-1 * t63 * t3825 + 0.3448… in func_pol()
1878 v4rho4[2] = t3969 + t3988 + t4014 + t4035 + t4050 + t4064 + t4091 + t4122; in func_pol()
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| H A D | gga_x_q2d.c | 1177 double t3973, t3975, t3984, t3986, t3988, t3990, t3991, t3993; in func_pol() local
3154 t3988 = t1260 * t1625; in func_pol()
3155 …88e3 - t3722 / 0.82944e5 + t3730 / 0.432e3 - t3984 / 0.82944e5 - t3986 / 0.288e3 - t3988 / 0.576e3; in func_pol()
3202 …1 * t616 * t1585 + t3730 / 0.216e3 - t3984 / 0.20736e5 - t3986 / 0.72e2 - t3988 / 0.144e3 - t3991 … in func_pol()
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| H A D | gga_c_op_pw91.c | 893 double t3976, t3979, t3980, t3981, t3984, t3985, t3988, t3989; in func_pol() local
2788 t3988 = t3057 * t325; in func_pol()
2789 t3989 = t3180 * t3988; in func_pol()
2794 t4000 = t683 * t3988; in func_pol()
4563 …0000e0 * t283 * t683 * t15241 + 0.20036838000000000000e0 * t283 * t2116 * t3988 + t15249 - 0.20036… in func_pol()
4570 …t15296 = -0.13357892000000000000e0 * t963 * t10321 * t3988 + t15260 - t15262 + 0.13357892000000000… in func_pol()
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| H A D | gga_c_sogga11.c | 3024 double t3988, t3989, t3990, t3992, t3993, t3994, t3996, t3998; in func_pol() local
5856 t3988 = t789 * t97; in func_pol()
5857 t3989 = t293 * t3988; in func_pol()
5907 t4084 = t286 * t3988; in func_pol()
5920 t4107 = t290 * t3988; in func_pol()
5942 t4146 = t296 * t3988; in func_pol()
8509 t11858 = t711 * t3988; in func_pol()
8534 t11903 = t675 * t3988; in func_pol()
8833 t12482 = t670 * t3988; in func_pol()
8971 t12731 = t243 * t3988; in func_pol()
[all …]
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| H A D | gga_x_hjs.c | 4597 double t3983, t3988, t3990, t3993, t3994, t4001, t4013, t4014; in func_pol() local
7536 t3988 = t1510 * t896; in func_pol()
7538 …* t3980 - 0.3e1 / 0.2e1 * t1499 * t3983 - t2282 * t1510 / 0.2e1 + t2287 * t3988 + t893 * t3990 / 0… in func_pol()
7541 …* t3980 - 0.3e1 / 0.2e1 * t1500 * t3983 - t2312 * t1510 / 0.2e1 + t2315 * t3988 + t907 * t3990 / 0… in func_pol()
10098 … 0.3e1 / 0.2e1 * t1500 * t11338 - t6340 * t1510 / 0.2e1 + 0.2e1 * t6343 * t3988 + t2312 * t3990 / … in func_pol()
10101 … 0.3e1 / 0.2e1 * t1499 * t11338 - t6261 * t1510 / 0.2e1 + 0.2e1 * t6264 * t3988 + t2282 * t3990 / … in func_pol()
10379 …t12254 - 0.3e1 / 0.2e1 * t1499 * t12257 - t6736 * t1510 / 0.2e1 + t6739 * t3988 + t2886 * t3990 / … in func_pol()
10428 …t12254 - 0.3e1 / 0.2e1 * t1500 * t12257 - t6556 * t1510 / 0.2e1 + t6559 * t3988 + t2699 * t3990 / … in func_pol()
15180 ….3e1 / 0.4e1 * t2312 * t11359 + 0.3e1 * t6343 * t11354 + 0.3e1 * t16675 * t3988 + 0.3e1 / 0.4e1 * … in func_pol()
15564 …t16675 * t4306 + 0.2e1 * t6343 * t12275 + 0.3e1 / 0.2e1 * t33456 * t35705 + 0.2e1 * t19921 * t3988; in func_pol()
[all …]
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| H A D | gga_x_ityh.c | 2599 double t3966, t3974, t3979, t3984, t3988, t3989, t3990, t3991; in func_pol() local
4447 t3988 = t1784 * rho[0]; in func_pol()
4448 t3989 = t3988 * t1397; in func_pol()
4682 … * t4466 - 0.6e1 * t406 * t4462 + 0.6e1 * t406 * t4466 + 0.18e2 * t1443 * t3988 * t4588 - 0.9e1 * … in func_pol()
5734 … t1444 * t4592 - 0.9e1 * t1443 * t3843 * t3990 * t3995 + 0.18e2 * t1443 * t3988 * t4001 * t4440 - … in func_pol()
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| H A D | gga_c_zpbeint.c | 1960 double t3980, t3982, t3983, t3984, t3985, t3986, t3987, t3988; in func_pol() local
4779 t3988 = t1305 * t3987; in func_pol()
4780 t3989 = 0.3e1 / 0.32e2 * t3988; in func_pol()
4866 t4092 = 0.3e1 / 0.16e2 * t3988; in func_pol()
7493 …677) + 0.9e1 / 0.16e2 * t3979 - 0.9e1 / 0.32e2 * t3984 - 0.9e1 / 0.32e2 * t3988 - 0.9e1 / 0.4e1 * … in func_pol()
7501 …t4089 + 0.9e1 / 0.8e1 * t3979 - 0.9e1 / 0.16e2 * t3984 - 0.9e1 / 0.16e2 * t3988 - 0.9e1 / 0.2e1 * … in func_pol()
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| H A D | gga_c_gaploc.c | 236 double t3983, t3988, t3990, t3993, t3994, t3997, t4000, t4001; in func_unpol() local
2050 t3988 = t391 * t3212; in func_unpol()
3238 double t3980, t3983, t3984, t3985, t3988, t3991, t3992, t3993; in func_ferr() local
5060 t3988 = t1110 * t3698; in func_ferr()
5061 …t1109 * t3980 + 0.46011511144704899612e1 * t414 * t3985 - 0.71500979903700853338e0 * t2650 * t3988; in func_ferr()
6281 double t3975, t3980, t3983, t3984, t3986, t3988, t3990, t3992; in func_pol() local
10260 t3988 = t292 * t3980; in func_pol()
10262 …* t3984 + 0.17617777777777777778e-1 * t3986 - 0.20554074074074074074e-1 * t3988 - 0.12841111111111… in func_pol()
10278 …1 * t3984 + 0.16879333333333333333e1 * t3986 - 0.19692555555555555555e1 * t3988 - 0.93011851851851… in func_pol()
10745 …* t3984 + 0.39789777777777777778e-3 * t3986 - 0.46421407407407407408e-3 * t3988 - 0.12236648148148… in func_pol()
[all …]
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| H A D | gga_c_pbe_vwn.c | 2051 double t3988, t3989, t3993, t3998, t3999, t4000, t4001, t4002; in func_pol() local
4389 t3988 = t490 * t1170; in func_pol()
4390 t3989 = t3988 * t493; in func_pol()
6096 t11272 = t3988 * t1391; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_erf.c | 556 double t3971, t3973, t3975, t3978, t3981, t3984, t3986, t3988; in func_pol() local
2141 t3988 = t174 * t665 * t1341; in func_pol()
2150 …t4029 = 0.4e1 / 0.27e2 * t3988 + t174 * t249 * t92 * t3878 / 0.27e2 - t174 * t254 * t3884 / 0.18e2… in func_pol()
2393 …10e2 / 0.81e2 * t3978 - 0.5e1 / 0.27e2 * t3981 - 0.2e1 / 0.81e2 * t3984 + t3988 / 0.27e2 - 0.50e2 … in func_pol()
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| H A D | lda_xc_bn05.c | 947 double t3966, t3967, t3970, t3973, t3978, t3982, t3985, t3988; in func_pol() local
2788 t3988 = t95 * t3769; in func_pol()
2789 … 0.16e2 / 0.729e3 * t3985 + t3296 + 0.16e2 / 0.729e3 * t2444 + 0.4e1 / 0.81e2 * t23 * t271 * t3988; in func_pol()
3840 t8221 = t23 * t698 * t3988; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m11.c | 3025 double t3983, t3985, t3987, t3988, t3989, t3993, t3997, t4001; in func_pol() local
4995 t3988 = t55 * t3987; in func_pol()
5019 …3977 - 0.4e1 / 0.27e2 * t3980 + t3983 / 0.9e1 + 0.40e2 / 0.243e3 * t414 * t3988 * t3989 - 0.5e1 / … in func_pol()
5450 … t1340 * t5387 - t414 * t662 * t5355 / 0.18e2 + 0.40e2 / 0.243e3 * t414 * t3988 * t5394 + t414 * t… in func_pol()
5738 … t6234 / 0.27e2 - t414 * t662 * t6238 / 0.9e1 + 0.40e2 / 0.243e3 * t414 * t3988 * t6242 - 0.5e1 / … in func_pol()
5909 … t6744 / 0.6e1 - t414 * t662 * t6749 / 0.18e2 + 0.40e2 / 0.243e3 * t414 * t3988 * t6753 - 0.5e1 / … in func_pol()
7270 …662 * t11387 / 0.3e1 + 0.80e2 / 0.81e2 * t414 * t3988 * t1341 * t1261 + 0.160e3 / 0.243e3 * t414 *… in func_pol()
7757 … t13877 + t414 * t657 * t3962 * t737 / 0.27e2 + 0.40e2 / 0.243e3 * t414 * t3988 * t758 * t3915 - t… in func_pol()
8016 …27e2 * t15722 - t414 * t662 * t15725 / 0.18e2 + 0.40e2 / 0.243e3 * t414 * t3988 * t2653 * t1248 - … in func_pol()
8043 …0.243e3 * t15807 - 0.260e3 / 0.243e3 * t15810 + 0.40e2 / 0.243e3 * t414 * t3988 * t2645 * t1261 - … in func_pol()
[all …]
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| H A D | mgga_x_scan.c | 1652 double t3869, t3877, t3900, t3914, t3947, t3968, t3987, t3988; in func_ferr() local
2746 …t3988 = my_piecewise3(t73, (-0.6500e4 / 0.729e3 * t664 + 0.10000e5 / 0.243e3 * t1622 - 0.10000e5 /… in func_ferr()
2748 …1 * t112 * t766 * t414 + 0.1174e1 * t3988 - 0.16e2 * t564 * t771 * t367 + 0.32e2 * t564 * t1691 * … in func_ferr()
3223 double t3988, t3989, t3990, t3991, t3992, t3993, t3994, t3996; in func_pol() local
5716 t3988 = t1155 * t1175; in func_pol()
5717 t3989 = 0.24739500000000000000e1 * t3988; in func_pol()
7716 … + 0.12369750000000000000e1 * t3984 + t10985 - 0.49479000000000000000e1 * t3988 - 0.83495812500000… in func_pol()
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| H A D | mgga_x_vt84.c | 205 double t3969, t3980, t3982, t3984, t3987, t3988, t3989, t3991; in func_unpol() local
1887 t3988 = t3987 * t76; in func_unpol()
1888 t3989 = t3779 * t3988; in func_unpol()
2965 …666666666666666e0 * t10822 * t2843 - 0.41666666666666666666e-1 * t10825 * t3988 + 0.18055555555555… in func_unpol()
3173 …9e3 / 0.64e2 * t4382 * t1192 * t953 + 0.20833333333333333332e0 * t14163 * t3988 - 0.65104166666666… in func_unpol()
3214 …9e3 / 0.64e2 * t4382 * t4195 * t280 + 0.15625000000000000000e0 * t14663 * t3988 - 0.41666666666666… in func_unpol()
6720 double t3983, t3988, t3991, t4000, t4002, t4005, t4017, t4018; in func_pol() local
9169 t3988 = t2523 * t568; in func_pol()
9771 … + 0.14180957265554395570e-2 * t3983 * t548 + 0.11105342999999999999e-2 * t3988 * t1405 + 0.141809… in func_pol()
10516 … + 0.21271435898331593355e-2 * t5704 * t548 - 0.62467554374999999997e-3 * t3988 * t2030 + 0.212714… in func_pol()
[all …]
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| H A D | mgga_c_kcis.c | 232 double t3984, t3985, t3987, t3988, t3989, t3991, t3992, t3993; in func_unpol() local
2020 t3988 = t1728 * t700; in func_unpol()
2021 t3989 = t2285 * t3988; in func_unpol()
9522 t3988 = t1702 * t1303; in func_pol()
9523 t3989 = t3987 * t3988; in func_pol()
9528 t3998 = t3997 * t3988; in func_pol()
9962 t5022 = t1183 * t3988; in func_pol()
13548 t12773 = t3988 * t1108; in func_pol()
16109 t19831 = t5040 * t3988; in func_pol()
16119 t19855 = t1581 * t3988; in func_pol()
[all …]
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| H A D | mgga_k_pc07.c | 4115 double t3971, t3980, t3984, t3985, t3988, t3990, t3996, t4003; in func_ferr() local
5760 …t3988 = 0.1045487556e2 * t3938 * t130 * t79 - 0.194004e2 * t3942 * t330 + 0.6272925336e2 * t334 * … in func_ferr()
5831 t4303 = my_piecewise3(t61, 0, t3937 + t3988 + t4031 + t4080 + t4177 + t4215 + t4255 + t4299); in func_ferr()
8080 double t3985, t3986, t3988, t3991, t3992, t4000, t4003, t4004; in func_pol() local
10704 t3988 = t330 * t2 * t327; in func_pol()
10705 …50e2 / 0.243e3 * t3977 * t3979 + 0.110e3 / 0.81e2 * t1326 * t3982 + 0.10e2 / 0.9e1 * t3986 * t3988; in func_pol()
13333 …t785 * t330 + 0.10e2 / 0.3e1 * t13296 * t3988 + 0.10e2 / 0.3e1 * t13300 * t3988 + 0.10e2 / 0.3e1 *… in func_pol()
14270 …1e2 * t13317 * t18155 * t831 + 0.10e2 / 0.9e1 * t18159 * t3988 + 0.10e2 / 0.9e1 * t18163 * t3988 -… in func_pol()
14757 …t3988 - 0.100e3 / 0.9e1 * t20830 * t3988 + 0.6e1 * t812 * t828 * t20794 - 0.15e2 / 0.4e1 * t2496 *… in func_pol()
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| H A D | mgga_c_b88.c | 2672 double t3988, t3989, t3990, t3991, t3992, t3993, t3994, t3995; in func_pol() local
5733 t3988 = t135 * t1342; in func_pol()
5734 t3989 = t3988 * t295; in func_pol()
6811 t5482 = t1279 * t3988; in func_pol()
8659 …* t334 * t4003 * t3982 * t842 + 0.26843545600000000002e0 * t334 * t4003 * t3988 * t842 + 0.5600000… in func_pol()
8697 …* t368 * t369 * t281 * t1286 - 0.44739242666666666670e-1 * t334 * t1290 * t3988 * t881 - 0.1491308… in func_pol()
9876 …t334 * t1290 * t3982 * t1694 - 0.44739242666666666670e-1 * t334 * t1290 * t3988 * t1694 - 0.447392… in func_pol()
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| H A D | mgga_x_tpss.c | 3591 double t3966, t3969, t3970, t3973, t3988, t3989, t3990, t3993; in func_pol() local
5675 …t3988 = t3970 * t126 + 0.2e1 / 0.9e1 * t3973 * t314 - t2998 * t514 / 0.6e1 - t3002 * t1221 / 0.18e… in func_pol()
5676 t3989 = t265 * t3988; in func_pol()
7370 …480 * t1132 * t1664 * t728 / 0.2e1 + 0.3e1 / 0.2e1 * t480 * t481 * t744 * t3988 * t352 + 0.3e1 / 0… in func_pol()
7945 …4e1 * t480 * t481 * t2826 * t1663 + 0.9e1 / 0.4e1 * t480 * t481 * t1137 * t3988 - t13108 - t480 * … in func_pol()
8136 …* t1393 * t1394 * t3341 * t1663 + 0.3e1 / 0.4e1 * t1393 * t1394 * t1387 * t3988 - t1385 * t1386 * … in func_pol()
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| H A D | hyb_mgga_x_pjs18.c | 151 double t3986, t3987, t3988, t3990, t3991, t3994, t3996, t3999; in func_unpol() local
1281 t3988 = t3987 * t497; in func_unpol()
1289 …t4018 = 0.45e2 / 0.2e1 * t3988 + 0.85e2 / 0.4e1 * t3991 - 0.6e1 * t3994 - 0.75e2 / 0.2e1 * t3996 -… in func_unpol()
1347 …t4590 = -0.15e2 * t3966 - t3970 - 0.5e1 / 0.4e1 * t3972 - 0.5e1 * t3974 + 0.60e2 * t3988 + 0.55e2 … in func_unpol()
1866 double t3963, t3976, t3979, t3982, t3985, t3988, t3993, t4002; in func_ferr() local
2974 t3988 = t327 * t1230; in func_ferr()
2985 …t4024 = 0.3e1 / 0.2e1 * t1460 * t736 + 0.3e1 / 0.4e1 * t3985 * t509 + t3988 * t1219 / 0.8e1 + t361… in func_ferr()
3161 …+ t597 * t5381 / 0.2e1 - t5096 + 0.80e2 * t5097 + t1698 * t1670 / 0.2e1 + t3988 * t1674 / 0.4e1 + … in func_ferr()
3284 …/ 0.4e1 * t4005 * t2171 + 0.3e1 / 0.2e1 * t1698 * t2174 + 0.3e1 / 0.8e1 * t3988 * t2171 + 0.3e1 / … in func_ferr()
3339 …1 / 0.4e1 * t3577 * t6924 + 0.2e1 * t845 * t2741 + t208 * t6933 / 0.2e1 + t3988 * t2738 / 0.2e1 + … in func_ferr()
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