| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_tca.c | 911 double t3310, t3312, t3313, t3315, t3316, t3318, t3319, t3321; in func_pol() local
2536 t3321 = t2392 * t504 * t3268; in func_pol()
2542 …70632714e-3 * t3308 - t3313 + t3316 - t3319 + 0.27849033472797522205e-3 * t3321 + t3326 - 0.696522… in func_pol()
2567 …301 - t3352 - t3353 - t3354 + t3355 - t3356 + 0.55698066945595044405e-3 * t3321 + t3358 - t3359 - … in func_pol()
2591 t3382 = 0.11139613389119008882e-2 * t3321; in func_pol()
2615 t3405 = 0.55698066945595044411e-3 * t3321; in func_pol()
2642 …16506167e-2 * t3308 - t3426 + t3427 - t3428 + 0.22279226778238017763e-2 * t3321 + t3430 - 0.557217… in func_pol()
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| H A D | gga_xc_th3.c | 591 double t3317, t3319, t3320, t3321, t3323, t3324, t3325, t3327; in func_pol() local
1832 t3321 = t371 * t1410; in func_pol()
1840 …t3333 = t3312 + t3314 + t3316 - 0.28e2 * t3317 + t3320 - 0.32e2 * t3321 + t3324 - 0.36e2 * t3325 +… in func_pol()
1930 …2e1 * t2960 + 0.28e2 * t3315 - 0.56e2 * t3317 + 0.32e2 * t3319 - 0.64e2 * t3321 + 0.36e2 * t3323 -… in func_pol()
2044 …2e1 * t305 * t1799 + t83 * t4237 / 0.2e1 - t3316 - 0.84e2 * t3317 - t3320 - 0.96e2 * t3321 - t3324; in func_pol()
2094 …/ 0.2e1 - 0.168e3 * t3315 - 0.112e3 * t3317 - 0.192e3 * t3319 - 0.128e3 * t3321 - 0.216e3 * t3323 … in func_pol()
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| H A D | gga_c_lyp.c | 567 double t3302, t3304, t3308, t3312, t3319, t3321, t3323, t3327; in func_pol() local
2065 t3321 = t361 * t575; in func_pol()
2085 …+ t3266 + t3312) / 0.8e1 - t28 * (t3002 * t33 / 0.72e2 + t3319 / 0.18e2 + t3321 / 0.12e2 + t3323 /… in func_pol()
2271 …t33 / 0.72e2 + t3881 / 0.24e2 + t3884 + t3885 / 0.72e2 + t3319 / 0.72e2 + t3321 / 0.24e2 + t3323 /… in func_pol()
2425 …6e2 + t4995 / 0.72e2 + t3881 / 0.36e2 + t3883 / 0.18e2 + t3885 / 0.36e2 + t3321 / 0.72e2 + t3323 /… in func_pol()
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| H A D | gga_c_wl.c | 508 double t3318, t3319, t3320, t3321, t3322, t3323, t3324, t3325; in func_pol() local
2054 t3321 = t867 * t653; in func_pol()
2055 t3322 = 0.22503750000000000000e-1 * t3321; in func_pol()
2073 …* t3319 + 0.22503750000000000000e-1 * t3335 + 0.45007500000000000000e-1 * t3321 - 0.36006e0 * t333… in func_pol()
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| H A D | gga_x_pbepow.c | 712 double t3321, t3327, t3357, t3363; in func_pol() local
1929 t3321 = t530 * t530; in func_pol()
1932 …6366767e-195 * t23 * t450 * t1361 - 0.35655071885615837072e-188 * t1439 * t3321 - 0.21829635848336… in func_pol()
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| H A D | gga_c_pw91.c | 1970 double t3311, t3315, t3317, t3321, t3325, t3335, t3341, t3342; in func_pol() local
4502 t3321 = t1250 * t352; in func_pol()
4576 …t3547 = 0.27818116767324025134e1 * t97 * t3317 * t158 - 0.55636233534648050268e1 * t97 * t3321 * t… in func_pol()
4838 …116767324025134e1 * t97 * t3970 * t391 - 0.55636233534648050268e1 * t97 * t3321 * t503 + 0.1112724… in func_pol()
5377 …16767324025134e1 * t97 * t1600 * t1326 - 0.27818116767324025134e1 * t97 * t3321 * t549 + 0.5563623… in func_pol()
5409 …16767324025134e1 * t97 * t1697 * t1326 - 0.27818116767324025134e1 * t97 * t3321 * t581 + 0.5563623… in func_pol()
6951 …534648050268e1 * t1261 * t1262 * t2664 - 0.83454350301972075402e1 * t97 * t3321 * t1051 + 0.333817… in func_pol()
8321 …16767324025134e1 * t97 * t14431 * t503 - 0.55636233534648050268e1 * t97 * t3321 * t1633 + 0.111272… in func_pol()
8473 …20788830160e2 * t1261 * t14883 * t5175 - 0.55636233534648050268e1 * t97 * t3321 * t1714 + 0.111272… in func_pol()
8611 …11127246706929610054e2 * t5159 * t3990 - 0.55636233534648050268e1 * t97 * t3321 * t1765 + 0.111272… in func_pol()
[all …]
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| H A D | gga_c_revtca.c | 1294 double t3302, t3304, t3315, t3318, t3321, t3324, t3328, t3330; in func_pol() local
3646 t3321 = t486 * t44; in func_pol()
3647 t3324 = 0.34809692759744544663e-1 * t748 * t2216 * t2131 * t3321; in func_pol()
3648 t3328 = 0.20876925391409731268e1 * t748 * t476 * t2096 * t3321; in func_pol()
4292 t5658 = 0.10442907827923363399e-1 * t5654 * t5655 * t3321; in func_pol()
4295 t5663 = 0.62630776174229193804e0 * t5659 * t5660 * t3321; in func_pol()
4487 t6119 = 0.10442907827923363399e-1 * t5654 * t6116 * t3321; in func_pol()
4489 t6123 = 0.62630776174229193804e0 * t5659 * t6120 * t3321; in func_pol()
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| H A D | gga_c_op_pw91.c | 864 double t3321, t3322, t3325, t3327, t3328, t3329, t3330, t3333; in func_pol() local
2520 t3321 = t1061 * t726; in func_pol()
2521 t3322 = t1060 * t3321; in func_pol()
4255 …0000e-1 * t1059 * t3627 * t3321 + 0.22263153333333333333e-1 * t3318 * t3632 + 0.222631533333333333… in func_pol()
4723 …22 * t3321 - 0.66789460000000000000e-1 * t3318 * t4223 + 0.13357892000000000000e0 * t3318 * t4216 … in func_pol()
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| H A D | gga_c_pbeloc.c | 2023 double t3318, t3321, t3323, t3326, t3328, t3331, t3333, t3338; in func_pol() local
4578 t3321 = t1162 * t263; in func_pol()
4579 t3323 = t846 * t308 * t3321; in func_pol()
6892 …99 * t2534 * t3134 - 0.6e1 * t919 * t3130 * t590 + 0.12e2 * t919 * t500 * t3321 - 0.12e2 * t499 * … in func_pol()
7281 …t2778 * t403 * t12099 / 0.128e3 - 0.5e1 / 0.256e3 * t662 * t2791 * t403 * t3321 - t662 * t8428 * t… in func_pol()
7313 …1050 * t3162 - 0.36e2 * t1049 * t2901 * t1162 + 0.180e3 * t1049 * t2897 * t3321 + 0.180e3 * t1049 … in func_pol()
7315 …64 * t12209 * t666 / 0.768e3 - 0.15e2 / 0.128e3 * t9078 * t7303 * t1072 * t3321 + 0.5e1 / 0.128e3 … in func_pol()
8450 t16928 = t4699 * t329 * t3321; in func_pol()
8452 t16933 = t4695 * t117 * t3321; in func_pol()
8631 … t14718 * t17689 - 0.2e1 * t430 * t1556 * t2534 + 0.6e1 * t4580 * t4036 * t3321 - t14754 - t14761 … in func_pol()
[all …]
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| H A D | gga_c_bmk.c | 1426 double t3319, t3321, t3332, t3335, t3336, t3337, t3338, t3339; in func_pol() local
3539 t3321 = 0.56969282336565386482e-3 * t494 * t3319; in func_pol()
3540 …t3332 = t3313 - t3317 - t3321 + t3272 + t3276 - t3279 + 0.15545000000000000000e-1 * t2879 * t119 +… in func_pol()
3793 …41759842e-3 * t3304 - 0.18311555036753159941e-3 * t3307 + t3313 - t3317 - t3321 + 0.15545000000000… in func_pol()
4298 …302 - t3252 - t3256 + 0.24415406715670879921e-3 * t3304 + t3313 - t3317 - t3321 + t3272 + t3276 - … in func_pol()
4492 …t5689 = t3313 - t3317 - t3321 + t3272 + t3276 - t3279 - 0.51947267698127589899e2 * t4084 - 0.17544… in func_pol()
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| H A D | gga_c_op_g96.c | 762 double t3302, t3303, t3304, t3312, t3313, t3314, t3321, t3322; in func_pol() local
2559 t3321 = t808 * t138; in func_pol()
2560 t3322 = t195 * t3321; in func_pol()
4436 t13697 = t133 * t3321; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_3.c | 911 double t3284, t3292, t3311, t3315, t3317, t3321, t3325, t3329; in func_pol() local
2543 t3321 = 0.10645795064745113728e0 * t3317 * t2791 * t740 * t3024; in func_pol()
2546 …* t483 * t615 + 0.12013086738172484016e0 * t1505 * t2869 * t653 - t3315 + t3321 + t3329 + 0.212692… in func_pol()
2622 t3825 = -t3199 + t3202 + t3258 + t3262 - t3266 + t3269 - t3274 + t3315 - t3321 - t3329 + t3824; in func_pol()
2891 …+ t3196 - t3199 + t3202 + t3258 + t3262 - t3266 + t3269 - t3274 + t3315 - t3321 - t3329 + t4995 + … in func_pol()
3036 …t5450 = t3262 - t3266 + t3269 - t3274 + t3315 - t3321 - t3329 + 0.8e1 * t5438 + 0.8e1 * t4994 - 0.… in func_pol()
3095 …+ t3196 - t3199 + t3202 + t3258 + t3262 - t3266 + t3269 - t3274 + t3315 - t3321 - t3329 - 0.12e2 *… in func_pol()
3141 …t6164 = t3269 - t3274 + t3315 - t3321 - t3329 - 0.48e2 * t4994 - 0.48e2 * t5442 + t3824 + t3827 + … in func_pol()
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| H A D | lda_c_vwn_4.c | 881 double t3319, t3321, t3323, t3325, t3334, t3352, t3368, t3381; in func_pol() local
2194 t3321 = t743 * t320; in func_pol()
2197 …t3334 = 0.2e1 * t3313 + 0.8e1 * t3315 - 0.8e1 * t3317 + 0.8e1 * t3319 + 0.20e2 * t3321 + 0.12e2 * … in func_pol()
2217 …12e2 * t3309 + 0.3e1 * t3313 - 0.12e2 * t3315 - 0.24e2 * t3317 + 0.60e2 * t3321 - 0.36e2 * t3323 +… in func_pol()
2240 …097 + 0.6e1 * t3308 - t2857 - 0.48e2 * t3317 - 0.48e2 * t3319 + 0.120e3 * t3321 + 0.72e2 * t3323 +… in func_pol()
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| H A D | lda_c_vwn.c | 880 double t3267, t3269, t3271, t3321, t3341, t3342, t3344, t3346; in func_pol() local
2188 …t3321 = 0.40e2 / 0.81e2 * t2427 * t716 * t328 - 0.64e2 / 0.27e2 * t1445 * t203 * t54 * t332 - 0.8e… in func_pol()
2191 …t3321 * t78 / 0.24e2 - t3076 / 0.6e1 - t3079 / 0.12e2 - t3085 / 0.12e2 - t1611 * t220 / 0.12e2 - t… in func_pol()
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| H A D | lda_x_erf.c | 529 double t3311, t3313, t3315, t3317, t3319, t3321, t3323, t3325; in func_pol() local
1930 t3321 = t115 * t547 * t3319; in func_pol()
1933 …/ 0.4e1 - t3305 / 0.2e1 - t3309 / 0.8e1 - t3313 / 0.8e1 - t3317 / 0.8e1 - t3321 / 0.24e2 - t2594 -… in func_pol()
2907 …- t3301 / 0.2e1 - t3305 - t3309 / 0.4e1 - t3313 / 0.4e1 - t3317 / 0.4e1 - t3321 / 0.12e2 - 0.3e1 /… in func_pol()
3054 …/ 0.8e1 * t3313 - t3733 - 0.3e1 / 0.8e1 * t3317 - t3737 - t3741 - t3745 - t3321 / 0.8e1 - t6606 - … in func_pol()
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| H A D | lda_c_ml1.c | 406 double t3321, t3322, t3324, t3327, t3342, t3343, t3350, t3353; in func_pol() local
2019 t3321 = t452 * t937; in func_pol()
2020 t3322 = t445 * t3321; in func_pol()
3499 t9265 = t1124 * t3321; in func_pol()
3837 t11243 = t2015 * t3321; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_vsxc.c | 191 double t3268, t3273, t3281, t3284, t3289, t3292, t3303, t3321; in func_unpol() local
1630 t3321 = t529 * tau[0]; in func_unpol()
3224 double t3317, t3318, t3320, t3321, t3322, t3323, t3324, t3325; in func_pol() local
6042 t3321 = t24 * t3320; in func_pol()
6045 t3324 = t3321 * t3323; in func_pol()
6907 … - t5062 + 0.24415263074675393405e-3 * t5063 + 0.96491876992155210402e2 * t3321 * t5065 + 0.100000… in func_pol()
7632 t6636 = t3321 * t6635; in func_pol()
10624 …00000000000000000e2 * t3329 * t3994 - t12068 + 0.57895126195293126241e3 * t3321 * t4247 * t1267 - … in func_pol()
11476 …e2 * t3321 * t5896 * t1267 + 0.10000000000000000000e1 * t1365 * t2236 * t1260 + 0.2077903092681775… in func_pol()
11498 …23203660e5 * t11286 * t1957 * t11289 * t1325 + 0.96491876992155210402e2 * t3321 * t2232 * t1260 + … in func_pol()
[all …]
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| H A D | mgga_x_gvt4.c | 1372 double t3321, t3329, t3331, t3333, t3336, t3349, t3357, t3360; in func_pol() local
3225 t3321 = t286 * t571; in func_pol()
3227 …0.3e1 * t3315 + 0.4e1 * t3317 + 0.16e2 / 0.9e1 * t3319 + 0.16e2 / 0.9e1 * t3321 - 0.8e1 / 0.27e2 *… in func_pol()
3241 … / 0.3e1 * t762 * t598 * t2 + 0.16e2 / 0.27e2 * t3319 + 0.32e2 / 0.27e2 * t3321 - 0.8e1 / 0.27e2 *… in func_pol()
3254 …27e2 * t3357 + t3360 + t3349 + 0.32e2 / 0.9e1 * t3361 + 0.16e2 / 0.27e2 * t3321 - t3230 + 0.4e1 / … in func_pol()
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| H A D | mgga_x_vt84.c | 3438 double t3317, t3318, t3321, t3325, t3326, t3331, t3332, t3335; in func_ferr() local
4882 t3321 = t178 * t325; in func_ferr()
4883 …3e2 / 0.400e3 * t826 * t3318 + 0.73e2 / 0.100e3 * t177 * t3321 - 0.23493497918454894154e-1 * t3321; in func_ferr()
6185 …1068 - 0.7884e4 / 0.25e2 * t460 * t387 * t331 + 0.73e2 / 0.100e3 * t643 * t3321 + 0.73e2 / 0.50e2 … in func_ferr()
6688 double t3307, t3309, t3313, t3316, t3318, t3321, t3322, t3323; in func_pol() local
8914 t3321 = t1288 * t210; in func_pol()
11524 …7 - 0.30373322247167858218e2 * t474 * t10737 - 0.12495537853649753761e0 * t3321 * t3322 * t3354 + … in func_pol()
11534 …+ 0.17662222222222222221e1 * t11163 * t3294 - 0.22719159733908643202e-1 * t3321 * t486 * t133 * t3… in func_pol()
11750 …6e1 * t4592 * t4606 - 0.6e1 * t4434 * t4606 - 0.56797899334771608004e-2 * t3321 * t5800 * t3452 + … in func_pol()
11824 … 0.56797899334771608004e-2 * t12899 * t3325 + 0.40468503276024770706e-1 * t3321 * t212 * t3324 * t… in func_pol()
[all …]
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| H A D | mgga_xc_b97mv.c | 3773 double t3313, t3315, t3317, t3318, t3321, t3326, t3329, t3332; in func_pol() local
6766 t3321 = t1033 * t651; in func_pol()
7096 …t3951 = -0.5070e1 * t3321 * t1036 + 0.5070e1 * t1764 * t3938 - 0.34705800000000000000e-3 * t1764 *… in func_pol()
7108 …t3983 = -0.5070e1 * t3954 * t297 - 0.2535e1 * t3391 * t1036 - 0.2535e1 * t3321 * t1090 + 0.5070e1 … in func_pol()
9845 …000000e-2 * t5038 * t3332 * t1765 - 0.5070e1 * t10453 * t653 - 0.2535e1 * t3321 * t1820 - 0.2535e1… in func_pol()
10022 t10961 = t3321 * tau[0]; in func_pol()
10149 … * t2723 - 0.20823480000000000000e-2 * t5038 * t3332 * t2723 - 0.2535e1 * t3321 * t2736 - 0.2535e1… in func_pol()
10886 …t13203 = -0.5070e1 * t10453 * t1036 + 0.10140e2 * t10464 * t3326 - 0.5070e1 * t3321 * t3329 + 0.50… in func_pol()
10905 …t13279 = -0.84500000000000000000e1 * t352 * t13246 + 0.84500000000000000000e1 * t3321 * t3399 - 0.… in func_pol()
10987 … t1030 * t10964 + 0.10140e2 * t10464 * t3462 + 0.16900000000000000000e2 * t3321 * t3465 + 0.5070e1… in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 120 double t3305, t3308, t3309, t3312, t3315, t3318, t3321, t3324; in func_unpol() local
997 t3321 = t116 * t73; in func_unpol()
999 …5 * t3246 + 0.44000000e8 / 0.27e2 * t3318 * t3246 + 0.100000e6 / 0.27e2 * t3321 * t3246 + 0.40000e… in func_unpol()
1152 …* t3363 * t4012 - 0.32000e5 / 0.9e1 * t3352 * t4012 - 0.20000e5 / 0.9e1 * t3321 * t4012 - 0.8000e4… in func_unpol()
1220 …00e3 / 0.3e1 * t3349 * t4981 + 0.6400e4 / 0.3e1 * t3352 * t4981 + 0.4000e4 / 0.3e1 * t3321 * t4981; in func_unpol()
1267 …5438 - 0.33600e5 * t3309 * t5438 - 0.192000e6 * t3312 * t5438 - 0.800e3 * t3321 * t5438 - 0.2880e4… in func_unpol()
2778 double t3314, t3316, t3318, t3320, t3321, t3322, t3324, t3325; in func_pol() local
4156 t3321 = 0.3e1 / 0.2e1 * t3320; in func_pol()
4171 …t3342 = -t3299 - t3304 - t3308 - t3312 - t3314 - t3316 / 0.2e1 - t3321 + t3325 + t3333 - t3336 / 0… in func_pol()
5470 …59 / 0.2e1 - t3362 - 0.3e1 * t3366 + t4140 - t3299 - t3304 - t3312 - 0.2e1 * t3314 - t3316 - t3321; in func_pol()
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| H A D | mgga_x_sa_tpss.c | 184 double t3302, t3304, t3306, t3311, t3314, t3319, t3321, t3322; in func_unpol() local
1736 t3322 = t3227 + t3321; in func_unpol()
7549 double t3305, t3311, t3312, t3316, t3320, t3321, t3325, t3329; in func_pol() local
9725 t3321 = t3302 * t977; in func_pol()
9830 … * t3669 * t3330 + 0.25e2 / 0.54e2 * t3320 * t3677 * t3321 + 0.25e2 / 0.81e2 * t3320 * t3669 * t33… in func_pol()
12684 … / 0.27e2 * t3320 * t11120 * t3321 - 0.250e3 / 0.729e3 * t3300 * t11124 * t3305 + 0.100e3 / 0.81e2… in func_pol()
13153 t13655 = t1644 * t3321; in func_pol()
13166 t13748 = t640 * t3321; in func_pol()
13581 …16248 * t3321 - 0.125e3 / 0.1458e4 * t3300 * t16255 * t3305 + 0.25e2 / 0.18e2 * t3329 * t16259 * t… in func_pol()
13590 t16366 = t2094 * t3321; in func_pol()
[all …]
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| H A D | mgga_x_task.c | 3185 double t3312, t3316, t3317, t3318, t3321, t3322, t3323, t3326; in func_pol() local
4968 t3321 = t598 * t549; in func_pol()
4970 t3323 = t3321 * t3322; in func_pol()
5046 t3452 = t3321 * t3451; in func_pol()
6647 …00e3 * t515 * t550 * t8685 * t759 - t515 * t8690 * t3322 / 0.2e1 - t515 * t3321 * t1330 * t600 / 0… in func_pol()
6697 …3328 * t113 * t842 * t219 / 0.9e1 - t515 * t8690 * t3451 / 0.6e1 - t515 * t3321 * t1330 * t842 / 0… in func_pol()
6971 …t10914 = -t10513 - 0.33750000000000000000e2 * t515 * t1651 * t3317 - t515 * t3321 * t1655 * t600 /… in func_pol()
7042 …- t515 * t4029 * t3455 / 0.2e1 - t10522 - 0.4e1 / 0.3e1 * t10981 - t515 * t3321 * t1655 * t842 / 0… in func_pol()
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| H A D | mgga_xc_b98.c | 225 double t3317, t3319, t3321, t3323, t3324, t3326, t3328, t3330; in func_unpol() local
2023 t3321 = t3319 * t581 * t37; in func_unpol()
5561 double t3307, t3309, t3311, t3313, t3315, t3317, t3319, t3321; in func_pol() local
9090 v2sigmalapl[4] = t3185 * t3321; in func_pol()
13425 t11081 = t253 * t3321; in func_pol()
13447 v3rhosigmalapl[4] = t10609 * t3321 + t11113 * t3185 + t11081; in func_pol()
13562 v3rhosigmalapl[10] = t10742 * t3321 + t11265 * t3185 + t11081; in func_pol()
18867 t37005 = t555 * t3321; in func_pol()
18903 …v4rho2sigmalapl[4] = 0.2e1 * t37005 + 0.2e1 * t37007 + t35428 * t3321 + 0.2e1 * t10609 * t11113 + … in func_pol()
19000 t37398 = t727 * t3321; in func_pol()
[all …]
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| H A D | hyb_mgga_x_m05.c | 1132 double t3276, t3279, t3282, t3285, t3298, t3311, t3316, t3321; in func_ferr() local
2050 t3321 = t1019 * t1611; in func_ferr()
2051 …t3321 + 0.1680e4 * t61 * t3279 + 0.5040e4 * t73 * t3282 + 0.3024e4 * t67 * t3285 + 0.7920e4 * t79 … in func_ferr()
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