| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_sfat.c | 1640 double t3769, t3818, t3865, t3885, t3929, t3937, t3942, t3956; in func_ferr() local
2684 t3956 = t974 * t240; in func_ferr()
2691 …0.18e2 * t1536 * t141 * t240 * t3059 + 0.108e3 * t1536 * t3956 * t3045 - 0.108e3 * t1536 * t3956 *… in func_ferr()
2771 … t2133 + 0.270e3 * t3973 * t4869 * t2072 * t9 * t2133 - 0.144e3 * t1536 * t3956 * t1706 + 0.72e2 *… in func_ferr()
2835 …0.32e2 * t3684 * t779 + 0.3e1 / 0.16e2 * t2040 * t610 - 0.108e3 * t1536 * t3956 * t2119 - 0.27e2 *… in func_ferr()
3135 double t3911, t3913, t3914, t3931, t3935, t3943, t3956, t3957; in func_pol() local
5077 t3956 = t352 * t1013; in func_pol()
5078 t3957 = t3956 * t1490; in func_pol()
6426 …3 * t1490 - 0.29866666666666666666e-1 * t1488 * t3956 * t3968 - 0.14933333333333333333e-1 * t1488 … in func_pol()
6715 …6666666e-1 * t1488 * t10385 * t4908 - 0.19911111111111111110e-1 * t1488 * t3956 * t4912 - 0.559999… in func_pol()
[all …]
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| H A D | gga_x_bpccac.c | 1482 double t3951, t3955, t3956, t3957, t3985, t3991, t3997, t4006; in func_pol() local
2984 t3956 = t3955 * t138; in func_pol()
2987 … t263 * t3791 * t95 + 0.64e2 / 0.3e1 * t3951 * t672 + 0.2048e4 / 0.27e2 * t3956 * t3791 * t3957 - … in func_pol()
3092 …1 * t263 * t1536 * t89 * t95 + 0.16e2 * t3940 * t2012 - 0.256e3 / 0.9e1 * t3956 * t1521 * t3957 * … in func_pol()
3186 …t5266 = 0.32e2 / 0.3e1 * t3956 * t663 * t3957 - 0.16e2 * t1645 * t663 * t1646 + 0.56e2 / 0.9e1 * t… in func_pol()
3293 …t5923 = -0.4e1 * t3956 * t5768 * t3957 + 0.6e1 * t1645 * t5768 * t1646 + t97 * ((-0.50906635802469… in func_pol()
3362 ….9e1 / 0.4e1 * t670 * t6128 * t632 + 0.3e1 * t4656 * t2561 + 0.3e1 / 0.2e1 * t3956 * t6132 * t3957; in func_pol()
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| H A D | gga_c_lm.c | 913 double t3949, t3952, t3955, t3956, t3957, t3958, t3960, t3961; in func_pol() local
2735 t3956 = 0.25979107394762235004e1 * t3891; in func_pol()
2739 …473884243452793756e0 * t3883 - 0.12989553697381117502e1 * t3885 + t3955 + t3956 - t3957 - t3958 + … in func_pol()
2780 …96878e0 * t3969 - t4019 - t3949 - 0.64947768486905587510e0 * t3885 + t3955 + t3956 - t3957 - t3958; in func_pol()
2810 …93756e0 * t3979 + t3942 + t3945 - t3947 + t3948 - t3949 - t3952 + t3955 + t3956 - t3957 - t3958 - … in func_pol()
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| H A D | gga_c_wl.c | 535 double t3932, t3934, t3949, t3951, t3953, t3954, t3956, t3958; in func_pol() local
2306 t3956 = t724 * t901; in func_pol()
2309 …t3985 = -0.54000000000000000000e0 * t3954 - 0.67511250000000000000e-2 * t3956 + 0.9001500000000000… in func_pol()
2330 t4038 = 0.13502250000000000000e-1 * t3956; in func_pol()
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| H A D | gga_x_n12.c | 1163 double t3856, t3860, t3861, t3884, t3908, t3931, t3954, t3956; in func_pol() local
2712 …t3956 = 0.384e-6 * t19 * t49 * t51 - 0.1536e-8 * t20 * t512 - 0.768e-6 * t33 * t49 * t51 + 0.9216e… in func_pol()
2713 t3957 = t495 * t3956; in func_pol()
3494 …v4rhosigma3[0] = -t8936 - t494 * t1279 * t3956 * t208 / 0.2e1 - 0.3e1 / 0.8e1 * t494 * t495 * t907… in func_pol()
3528 …v4rhosigma3[10] = -t8936 - t494 * t1279 * t3956 * t370 / 0.2e1 - 0.3e1 / 0.8e1 * t494 * t495 * (-t… in func_pol()
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| H A D | gga_k_meyer.c | 1351 double t3907, t3918, t3933, t3941, t3948, t3956, t3958, t3995; in func_pol() local
2786 t3956 = t1597 * t1772; in func_pol()
2789 …e1 * t3948 + t581 * t1588 * t1231 / 0.3e1 + t581 * t650 * t1199 / 0.2e1 + t3956 / 0.2e1 + t581 * t… in func_pol()
2823 …2e1 * t581 * t1623 * t491 + t581 * t650 * t1255 / 0.2e1 + 0.3e1 / 0.2e1 * t3956 + t3892 - t3821 + … in func_pol()
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| H A D | gga_c_op_b88.c | 836 double t3949, t3952, t3953, t3956, t3957, t3960, t3963, t3964; in func_pol() local
2712 t3956 = t2993 * t274; in func_pol()
2713 t3957 = t2988 * t3956; in func_pol()
2714 t3960 = t567 * t3956; in func_pol()
4501 … - t15545 + t15547 - t15549 - 0.44458688888888888889e-1 * t841 * t10457 * t3956 - 0.33344016666666… in func_pol()
4539 …00e1 * t370 * t4559 * t15878 + 0.66688033333333333333e-1 * t207 * t1917 * t3956 - 0.66688033333333… in func_pol()
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| H A D | gga_x_gg99.c | 3633 double t3930, t3933, t3943, t3947, t3951, t3956, t3959, t3962; in func_pol() local
6276 t3956 = t2257 * t527; in func_pol()
6278 …t3943 + 0.96e2 * t447 * t3947 - 0.288e3 * t447 * t3951 + 0.192e3 * t447 * t3956 + 0.48e2 * t447 * … in func_pol()
7720 …67 + 0.576e3 * t769 * t3947 - 0.1728e4 * t769 * t3951 + 0.1152e4 * t769 * t3956 + 0.144e3 * t6714 … in func_pol()
8487 …52e4 * t447 * t6736 * t2242 - 0.144e3 * t1281 * t3943 + 0.576e3 * t1281 * t3956 + 0.144e3 * t1281 … in func_pol()
9081 … t1684 * t3956 + 0.48e2 * t1684 * t3959 + 0.96e2 * t1688 * t3943 - 0.192e3 * t1688 * t3947 + 0.134… in func_pol()
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| H A D | gga_c_revtca.c | 1317 double t3947, t3948, t3950, t3951, t3956, t3964, t3965, t3968; in func_pol() local
3833 …t3956 = -0.1e-18 * t3941 - 0.30110950083764035482e-1 * t3944 + t3948 + t3350 + t3354 - t3359 + t39… in func_pol()
3845 …14 + t3642 + t3682 + t3743 + t3773 + t3799 + t3811 + t3832 + t3855 + t3887 + t3935 + t3956 + t3983; in func_pol()
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| H A D | gga_c_scan_e0.c | 1603 double t3956, t3994, t4015, t4018, t4054, t4057, t4062, t4097; in func_pol() local
4079 …t3956 = -0.46785788981077169656e1 * t532 * t216 * t1460 - 0.24828486201251232145e5 * t56 / t492 / … in func_pol()
4090 t4111 = t40 * t54 * (t3956 + t4015 + t4062 + t4107); in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 427 double t3950, t3951, t3952, t3954, t3955, t3956, t3957, t3965; in func_pol() local
2184 t3956 = 0.120e3 * t3955; in func_pol()
2185 t3957 = -t3950 + t3952 - t3956; in func_pol()
2742 t5977 = t5976 - t3956; in func_pol()
3381 t8797 = 0.24e2 * t267 - t3956; in func_pol()
3846 t11293 = -t5976 - t3956; in func_pol()
4163 t13319 = -t3950 - t3952 - t3956; in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 268 t3879,t3894,t3910,t3925,t3941,t3956,t3972,t3975,t3977,t3979,t3981,t3983,& local
2119 … t3956 = .CONVERT."0.21179039819857920E17" * t1847 - .CONVERT."0.1981248717127680E16" * t1849 &
2362 + t3910 + t4325 + t4175 + t3925 + t3941 + t3956 + t3894 + t4410) &
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 268 t3879,t3894,t3910,t3925,t3941,t3956,t3972,t3975,t3977,t3979,t3981,t3983,& local
2119 … t3956 = .CONVERT."0.21179039819857920E17" * t1847 - .CONVERT."0.1981248717127680E16" * t1849 &
2362 + t3910 + t4325 + t4175 + t3925 + t3941 + t3956 + t3894 + t4410) &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_cs.c | 801 double t3951, t3956, t3957, t3960, t3961, t3962, t3964, t3965; in func_pol() local
2822 t3956 = 0.50347205333333333333e-2 * t1477 * t516; in func_pol()
2834 …t3981 = -0.92559355392533333333e-4 * t3951 + 0.43278400000000000000e-1 * t1474 * t516 + t3956 + 0.… in func_pol()
2924 …t4307 = t3956 + 0.36541395733333333333e-2 * t3957 - t3960 - 0.20138882133333333332e-2 * t3962 - 0.… in func_pol()
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| H A D | mgga_x_scanl.c | 211 double t3955, t3956, t3964, t3965, t3966, t3971, t3972, t3978; in func_unpol() local
2141 t3956 = t2458 * t869; in func_unpol()
2145 …2381755974563669e-1 * t3952 * t2461 + 0.97972381755974563669e-1 * t3955 * t3956 - 0.11907822533476… in func_unpol()
3791 …6 * t863 * t3956 + 0.238156450669527040e0 * t868 * t8958 - 0.1844001259520e1 * t251 * t12303 + 0.1… in func_unpol()
4315 …26855254e0 * t7676 * t16536 + 0.97972381755974563669e-1 * t2946 * t1254 * t3956 + 0.325024956416e0… in func_unpol()
4380 …967321450326855254e0 * t883 * t12159 + 0.76507664515005293790e1 * t5266 * t3956 + 0.47631290133905… in func_unpol()
4415 …t3956 + 0.75858199451789026628e0 * t1084 * t10080 + 0.17485326916752292327e0 * t3074 * t15353 + 0.… in func_unpol()
4516 …7095253694e-1 * t4473 * t381 - 0.11756685810716947640e1 * t13597 * t366 * t3956 - 0.23815645066952… in func_unpol()
5567 double t3942, t3945, t3946, t3949, t3950, t3952, t3954, t3956; in func_ferr() local
7498 t3956 = t2849 * t2284; in func_ferr()
[all …]
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| H A D | hyb_mgga_x_m05.c | 2279 double t3950, t3955, t3956, t3959, t3960, t3963, t3964, t3977; in func_pol() local
4352 t3956 = t3955 * tau[0]; in func_pol()
4363 …t3956 + 0.100e3 * t2053 * t3960 + 0.500e3 * t793 * t3964 + 0.200e3 * t2065 * t3964 + 0.900e3 * t80… in func_pol()
4370 …4033 + 0.40e2 * t2044 * t4001 + 0.60e2 * t239 * t4001 + 0.1260e4 * t267 * t3956 + 0.1960e4 * t275 … in func_pol()
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| H A D | mgga_x_m08.c | 1467 double t3934, t3938, t3942, t3948, t3952, t3956, t3960, t3964; in func_ferr() local
2383 t3956 = t62 * t782 * tau[0]; in func_ferr()
2386 …t176 * t3948 - 0.3280e4 / 0.3e1 * t176 * t3952 - 0.6560e4 / 0.9e1 * t48 * t3956 + 0.157300e6 * t23… in func_ferr()
2395 …2 * t3914 + 0.36400e5 / 0.3e1 * t66 * t3981 - 0.32800e5 / 0.27e2 * t562 * t3956 - 0.82000e5 / 0.27… in func_ferr()
2405 …8 * t4003 - 0.6560e4 / 0.9e1 * t619 * t3952 - 0.52480e5 / 0.27e2 * t183 * t3956 + 0.2600e4 / 0.3e1… in func_ferr()
2432 …t3956 - 0.82000e5 / 0.27e2 * t270 * t3930 + 0.6500e4 / 0.3e1 * t1774 * t3975 + 0.32500e5 / 0.3e1 *… in func_ferr()
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| H A D | mgga_x_edmgga.c | 1782 double t3934, t3938, t3953, t3956, t3960, t3964, t3968, t3972; in func_ferr() local
2795 t3956 = t2417 * t529 * t3217; in func_ferr()
2801 …t3977 = -0.33190537739774681728e-3 * t3953 + 0.80361903747517469321e-3 * t3956 + 0.160723807495034… in func_ferr()
2825 …t4232 = 0.13276215095909872691e-2 * t3953 - 0.32144761499006987728e-2 * t3956 - 0.6428952299801397… in func_ferr()
2841 …t4399 = -0.53104860383639490765e-2 * t3953 + 0.12857904599602795091e-1 * t3956 + 0.257158091992055… in func_ferr()
3466 double t3938, t3941, t3944, t3950, t3953, t3954, t3956, t3957; in func_pol() local
5480 …t3956 = 0.2e1 * t104 * t3887 + 0.2e1 * t104 * t3890 + 0.2e1 * t104 * t3895 - t104 * t3954 + t3870 … in func_pol()
5481 t3957 = t286 * t3956; in func_pol()
7087 … / 0.6e1 + t2220 * t736 * t1399 * t9 / 0.2e1 - t11356 / 0.2e1 - t262 * t736 * t3956 * t191 / 0.2e1; in func_pol()
7117 …e1 * t11346 - t11356 - t262 * t550 * t1399 * t587 / 0.6e1 - t262 * t736 * t3956 * t208 - t262 * t7… in func_pol()
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| H A D | mgga_c_pkzb.c | 2684 double t3949, t3950, t3952, t3954, t3955, t3956, t3957, t3958; in func_pol() local
6602 t3956 = t3954 * t3955; in func_pol()
6614 v2sigma2[1] = 0.16781321040762193395e-2 * t3956 * t3958 + t1072 * t3972 - t3475 * t3975; in func_pol()
11426 …0.50343963122286580185e-2 * t13287 * t13855 + 0.16781321040762193395e-2 * t3956 * t13858 - 0.16781… in func_pol()
12232 …v3sigma3[1] = 0.16781321040762193395e-2 * t14761 * t13263 + 0.33562642081524386790e-2 * t3956 * t1… in func_pol()
12259 …[3] = 0.16781321040762193395e-2 * t3956 * t14811 + t1072 * t14826 - t3475 * t14828 - 0.16781321040… in func_pol()
18234 …t47367 + 0.16781321040762193395e-2 * t47370 + 0.16781321040762193395e-2 * t3956 * t47372 + t14024 … in func_pol()
19908 …728 + 0.2e1 * t3475 * t3469 * t46339 * t532 + 0.33562642081524386790e-2 * t3956 * t54735 - 0.33562… in func_pol()
20337 … t54711 - 0.33562642081524386790e-2 * t13287 * t56130 + 0.33562642081524386790e-2 * t3956 * t56133; in func_pol()
21445 …0.50343963122286580185e-2 * t14761 * t14768 + 0.50343963122286580185e-2 * t3956 * t59073 - 0.10068… in func_pol()
[all …]
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| H A D | mgga_x_m06l.c | 1469 double t3953, t3956, t3960, t3963, t3964, t3968, t3972, t3975; in func_ferr() local
2514 t3956 = t1654 * tau[0]; in func_ferr()
2516 …0e5 / 0.3e1 * t1311 * t3949 + 0.8400e4 * t66 * t3953 - 0.13720e5 * t554 * t3956 + 0.39200e5 * t554… in func_ferr()
2525 …e4 / 0.3e1 * t1199 * t3968 - 0.8400e4 * t545 * t3941 - 0.11760e5 * t195 * t3956 + 0.21000e5 * t545… in func_ferr()
2533 …0200e6 / 0.3e1 * t96 * t2449 * t3860 * t415 - 0.15680e5 / 0.3e1 * t1320 * t3956 + 0.14000e5 * t72 … in func_ferr()
2534 …941 + 0.10000e5 * t536 * t3945 + 0.35000e5 / 0.3e1 * t188 * t3949 - 0.9800e4 / 0.3e1 * t60 * t3956; in func_ferr()
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| H A D | mgga_x_rscan.c | 14433 double t3944, t3947, t3949, t3950, t3953, t3954, t3956, t3957; in func_pol() local
18059 t3956 = 0.11610376355920e2 * t977 * t3954; in func_pol()
21151 …t11500 = t3925 - t3934 + t3940 + t3949 - t3956 - t3965 - t3989 + t3991 + t3994 + t4003 - 0.1850230… in func_pol()
21888 …t12781 = -t3900 + t3906 - t3919 + t3925 - t3934 + t3940 + t3949 - t3956 - t3965 - t3989 + t3991 + … in func_pol()
22244 t13972 = -t11487 + t11489 - t3891 - t3900 + t3906 - t3919 + t3925 - t3934 + t3940 + t3949 - t3956; in func_pol()
22459 …t14634 = t3940 + t3949 - t3956 - t3965 - t3989 + t3991 + t3994 + t4003 - t14622 + t14623 - t14624 … in func_pol()
22831 t15247 = -t3919 + t3925 - t3934 + t3940 + t3949 - t3956 - t3965 - t3989 + t3991 + t3994 + t4003; in func_pol()
23380 …- t16160 + t16161 - t16162 - t3891 - t3900 + t3906 - t3919 + t3925 - t3934 + t3940 + t3949 - t3956; in func_pol()
27917 …t37494 = t3925 - t3934 + t3940 + t3949 - t3956 - t3965 - t3989 + t3991 + t3994 + t4003 + 0.2590322… in func_pol()
31230 …t52167 = -t3956 - t3965 - t3989 + t3991 + t3994 + t4003 + 0.96048e2 * t51187 + 0.108054e3 * t51193… in func_pol()
[all …]
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| H A D | hyb_mgga_x_pjs18.c | 1865 double t3896, t3938, t3939, t3946, t3951, t3956, t3957, t3962; in func_ferr() local
2966 t3956 = t704 * t480; in func_ferr()
2967 t3957 = t3956 * t61; in func_ferr()
3005 …t4058 = 0.40e2 * t3962 + 0.120e3 * t3956 + 0.120e3 * t4035 + 0.40e2 * t4032 - t4040 - t4051 - t404… in func_ferr()
3008 …1 * t4027 - 0.100e3 * t4029 - 0.72e2 * t3962 - 0.72e2 * t4032 - 0.216e3 * t3956 - 0.216e3 * t4035 … in func_ferr()
3025 …t4208 = 0.6e1 * t625 * t3956 + 0.2e1 * t625 * t3962 - 0.3e1 / 0.2e1 * t885 * t1693 + 0.6e1 * t625 … in func_ferr()
3038 … t171 + 0.460800e6 * t715 * t480 + 0.1843200e7 * t756 * t486 + 0.1344e4 * t3956 + 0.448e3 * t3962 … in func_ferr()
3044 …t4497 = 0.3e1 / 0.2e1 * t505 * t1693 + t250 * t3993 / 0.2e1 + 0.432e3 * t519 * t3956 + 0.432e3 * t… in func_ferr()
3618 double t3947, t3952, t3956, t3957, t3960, t3961, t3962, t3965; in func_pol() local
5923 …t3956 = -0.14e2 / 0.243e3 * t288 * t309 * t3863 + 0.2e1 / 0.27e2 * t288 * t309 * t3868 - 0.11e2 / … in func_pol()
[all …]
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| H A D | mgga_x_gx.c | 2477 double t3907, t3914, t3920, t3922, t3927, t3931, t3946, t3956; in func_pol() local
4778 …t3956 = 0.2e1 / 0.3e1 * t1468 - 0.2e1 / 0.3e1 * t1472 - t1476 / 0.3e1 - t1573 / 0.4e1 - t1576 / 0.… in func_pol()
4808 v4rho4[2] = t4183 + t3969 + t3956 + t3946; in func_pol()
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| H A D | mgga_x_sa_tpss.c | 3928 double t3952, t3955, t3956, t3957, t3960, t3961, t3967, t3974; in func_ferr() local
5551 t3956 = t295 * t647; in func_ferr()
5552 t3957 = t3956 * t223; in func_ferr()
5803 t4643 = t3956 * t328; in func_ferr()
6687 …25e4 * t208 * t3936 + 0.73e2 / 0.150e3 * t3952 * t2733 + 0.5913e4 / 0.80e2 * t10448 * t3956 * t611; in func_ferr()
6695 … * t676 - 0.73e2 / 0.600e3 * t3952 * t2638 - 0.5913e4 / 0.200e3 * t3955 * t3956 * t676 - 0.73e2 / … in func_ferr()
6920 … t1476 + 0.73e2 / 0.400e3 * t10483 * t3537 + 0.5913e4 / 0.80e2 * t10448 * t3956 * t866 - 0.219e3 /… in func_ferr()
6934 …1053 - 0.5913e4 / 0.200e3 * t10475 * t4643 - 0.5913e4 / 0.200e3 * t3955 * t3956 * t874 - 0.5913e4 … in func_ferr()
7215 … t4646 - 0.73e2 / 0.150e3 * t12769 * t1342 + 0.5913e4 / 0.80e2 * t10448 * t3956 * t1180 - 0.5913e4… in func_ferr()
7216 …* t4646 - 0.73e2 / 0.600e3 * t3952 * t4468 - 0.5913e4 / 0.200e3 * t3955 * t3956 * t1185 + 0.73e2 /… in func_ferr()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 4256 double t3909, t3929, t3942, t3949, t3956, t3961, t3974, t3986; in func_pol() local
6332 t3956 = t124 * t723; in func_pol()
6429 …e1 * t284 * t4031 + 0.8e1 / 0.3e1 * t680 * t4035 - 0.4e1 / 0.3e1 * t284 * t3956 + 0.8e1 / 0.3e1 * … in func_pol()
6593 …3e1 * t284 * t2304 - 0.2e1 / 0.3e1 * t392 * t696 - 0.2e1 / 0.3e1 * t240 * t3956 + 0.2e1 * t4862 * … in func_pol()
6810 …08 - t2411 - t2414 - 0.2e1 / 0.3e1 * t861 * t696 - 0.2e1 / 0.3e1 * t340 * t3956 + 0.2e1 * t3974 * … in func_pol()
7234 …e1 * t284 * t7035 - 0.2e1 / 0.3e1 * t1048 * t696 - 0.4e1 / 0.3e1 * t117 * t3956 - 0.2e1 / 0.3e1 * … in func_pol()
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