| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | hyb_mgga_x_pjs18.c | 3837 double t11085, t11086, t11088, t11093, t11107, t11109, t11111, t11113; in func_pol() local
7766 t11093 = t456 * t3632; in func_pol()
7780 …11086 + 0.4e1 * t1397 * t11088 - t1846 * t3698 / 0.2e1 + 0.2e1 * t1397 * t11093 - t458 * t11068 + … in func_pol()
7799 t11226 = 0.80e2 * t11088 + 0.40e2 * t11093 + 0.40e2 * t11218 - t11221 - t11223 - t11225 - t11215; in func_pol()
7800 … * t11196 / 0.8e1 + t11215 + t11226 * t187 - 0.144e3 * t11088 - 0.72e2 * t11093 - 0.72e2 * t11218 … in func_pol()
7809 …t11309 = 0.288e3 * t1507 * t11088 + 0.288e3 * t8318 * t2758 + 0.144e3 * t1507 * t11093 + 0.480e3 *… in func_pol()
7818 … t3739 * t456 + 0.153600e6 * t3741 * t456 + 0.896e3 * t11088 + 0.448e3 * t11093 - 0.5760e4 * t1121… in func_pol()
11354 t34225 = t11093 * t677; in func_pol()
12048 t38683 = t937 * t11093; in func_pol()
12085 …0e5 * t939 * t11068 - 0.103680e6 * t966 * t11093 + 0.2424870e7 * t968 * t11093 - 0.185794560e9 * t… in func_pol()
[all …]
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| H A D | mgga_c_m06l.c | 6133 double t11088, t11089, t11091, t11093, t11094, t11096, t11100, t11103; in func_pol() local
13418 t11093 = t3555 * t1876; in func_pol()
13419 t11094 = t1921 * t11093; in func_pol()
13420 t11096 = t1864 * t11093; in func_pol()
13422 t11103 = t1888 * t11093; in func_pol()
19871 …03 * t1896 * tau[0]) * t411 - 0.16e2 * t1864 * t35733 + 0.18e2 * t5512 * t11093 - 0.48e2 * t1888 *… in func_pol()
19874 …t35770 = 0.36e2 * t11126 * t5475 + 0.36e2 * t18889 * t3556 + 0.36e2 * t5518 * t11093 - 0.96e2 * t1… in func_pol()
20004 …t37177 = 0.6e1 * t11093 * t7881 + 0.12e2 * t11093 * t7912 + 0.12e2 * t11126 * t7878 - 0.6e1 * t113… in func_pol()
21113 …t47276 = -0.120e3 * t11088 * t35647 + 0.24e2 * t11093 * t11126 - 0.48e2 * t14368 * t18875 - 0.128e… in func_pol()
21494 …t50007 = 0.12e2 * t11093 * t12871 - 0.64e2 * t11106 * t12871 + 0.24e2 * t11126 * t12838 - 0.104e3 … in func_pol()
[all …]
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| H A D | mgga_c_pkzb.c | 3052 double t11090, t11093, t11094, t11097, t11100, t11103, t11106, t11107; in func_pol() local
9628 t11093 = t717 * t3544; in func_pol()
9629 t11094 = t11093 * t1948; in func_pol()
10031 t11857 = t11093 * t2627; in func_pol()
16036 …* t11093 * t5666 - 0.52041769129231196772e1 * t35706 * t11079 + 0.13010442282307799193e1 * t11068 … in func_pol()
16528 …t38066 = 0.13170898365871023197e1 * t3747 * t2008 + 0.86736281882051994620e0 * t3558 * t11093 * t6… in func_pol()
16922 …5997310e0 * t11863 * t40506 * t1948 + 0.43368140941025997310e0 * t3558 * t11093 * t8426 + 0.173472… in func_pol()
16926 …8140941025997310e0 * t3550 * t12537 + 0.43368140941025997310e0 * t3558 * t11093 * t8421 + 0.263417… in func_pol()
18493 …3242244827205771e-2 * t13551 * t14144 * t4042 + 0.11423947533020470523e1 * t13559 * t11093 * t3746; in func_pol()
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| H A D | mgga_x_task.c | 3359 double t11075, t11082, t11083, t11085, t11087, t11089, t11091, t11093; in func_pol() local
7029 t11093 = t3388 * t4444; in func_pol()
7037 …0000000e1 * t11089 - 0.50000000000000000000e1 * t11091 - 0.2e1 / 0.3e1 * t11093 - 0.2e1 / 0.3e1 * … in func_pol()
7060 …t11264 = -0.10000000000000000000e2 * t11091 - 0.4e1 / 0.3e1 * t11093 - 0.4e1 / 0.3e1 * t11095 - 0.… in func_pol()
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| H A D | mgga_c_revscan.c | 4437 double t11090, t11093, t11095, t11099, t11106, t11113, t11114, t11124; in func_pol() local
11934 …t11093 = 0.23271604938271604938e1 * t11064 * t2710 - 0.23271604938271604938e1 * t10868 * t11068 + … in func_pol()
11940 …t11124 = my_piecewise3(t204, t11093 * t210 + t11095 * t210 + t11099 * t210 + 0.2e1 * t796 * t2644,… in func_pol()
21207 …t42559 = (t42485 + t42538) * t210 + t11093 * t528 * t210 + t10891 * t678 * t210 + t3012 * t1547 * … in func_pol()
21296 …t43287 = my_piecewise3(t204, (t43143 + t43192) * t210 + 0.2e1 * t11093 * t678 * t210 + t3012 * t20… in func_pol()
23161 …t47111 = t11093 * t210 * t722 + t11767 * t210 * t678 + t210 * t2376 * t3012 + t210 * t2376 * t3014… in func_pol()
23202 …t47300 = t11093 * t210 * t757 + t11834 * t210 * t678 + t210 * t2429 * t3012 + t210 * t2429 * t3014… in func_pol()
23436 …t47998 = t11093 * t210 * t778 + t11930 * t210 * t678 + t210 * t2596 * t3012 + t210 * t2596 * t3014… in func_pol()
23457 …48e2 * t11499 * t47684 * t45916) * t210 + t11964 * t678 * t210 + 0.3e1 * t11093 * t795 * t210 + 0.… in func_pol()
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| H A D | mgga_x_msb.c | 3226 double t10994, t10995, t10997, t11001, t11028, t11035, t11056, t11093; in func_pol() local
6737 …t11093 = -0.36e2 * t10995 - 0.1000e4 * t10997 + 0.36e2 * t1933 * t10994 + 0.1000e4 * t6022 * t1098… in func_pol()
6738 … t3542 + 0.1300e4 / 0.3e1 * t1174 + 0.60e2 * t10979 + 0.200e3 * t10983 + t11093) + 0.6e1 * t9219 *… in func_pol()
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| H A D | hyb_mgga_x_js18.c | 333 double t10987, t11009, t11024, t11040, t11042, t11076, t11093, t11103; in func_unpol() local
3023 t11093 = t4068 * t446; in func_unpol()
3026 …8 - 0.12e2 * t1569 * t10477 + 0.162e3 * t8690 * t1637 + 0.3e1 / 0.10e2 * t11093 * t468 + t8462 * t… in func_unpol()
3392 …92e0 * t4338 * t14390 - 0.12e2 * t757 * t5672 + t5294 * t1139 / 0.10e2 + t11093 * t648 / 0.10e2 + … in func_unpol()
3484 …40751569600000000000e2 * t5640 * t690 * t4050 + t5759 * t1139 / 0.10e2 + t11093 * t714 / 0.5e1 + t… in func_unpol()
8895 double t11084, t11086, t11088, t11090, t11091, t11093, t11098, t11099; in func_pol() local
13876 t11093 = t2754 * t2755 * t11091; in func_pol()
14037 …t11777 = t11082 - t11086 / 0.2e1 + t11090 + t8679 + t8682 - t11093 / 0.6e1 + t7974 / 0.9e1 + t8687… in func_pol()
19073 …e1 * t11076 + 0.2e1 * t11082 - t11086 + 0.2e1 * t11090 + t8678 + t8681 - t11093 / 0.3e1 + 0.2e1 / … in func_pol()
19407 …1 * t11082 - 0.3e1 / 0.2e1 * t11086 + 0.3e1 * t11090 + t27660 + t27661 - t11093 / 0.2e1 + t7975 + … in func_pol()
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| H A D | mgga_x_vt84.c | 6953 double t11080, t11084, t11085, t11090, t11093, t11099, t11106, t11109; in func_pol() local
11514 t11093 = t208 * t3604; in func_pol()
11518 …t11118 = -0.12e2 * t11085 * t490 + 0.24e2 * t3577 * t1276 - t11090 * t220 * t225 + 0.4e1 * t11093 … in func_pol()
11524 … t213 + 0.6e1 * t208 * t1274 * t11128 + 0.12e2 * t1225 * t1276 - 0.4e1 * t11093 * t490 - 0.12e2 * … in func_pol()
11824 …2899 * t3325 + 0.40468503276024770706e-1 * t3321 * t212 * t3324 * t132 - t11093 * t666 - 0.3e1 * t… in func_pol()
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| H A D | mgga_x_rscan.c | 14777 double t11090, t11093, t11094, t11099, t11110, t11113, t11115, t11118; in func_pol() local
20945 t11093 = t3607 * t360; in func_pol()
20946 t11094 = t11093 * t731; in func_pol()
22093 t13561 = t11093 * t1068; in func_pol()
28809 t42354 = t3616 * t11093; in func_pol()
30093 t47091 = t11093 * t4085; in func_pol()
30519 t49196 = t4410 * t11093; in func_pol()
30523 t49222 = t11093 * t4399; in func_pol()
30879 t50991 = t11093 * t4633; in func_pol()
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| H A D | mgga_x_sa_tpss.c | 4072 double t11029, t11049, t11059, t11085, t11093, t11094, t11098, t11110; in func_ferr() local
6751 t11093 = t3248 * t258; in func_ferr()
6752 t11094 = t1170 * t11093; in func_ferr()
6863 t12164 = t1330 * t11093; in func_ferr()
6950 t12971 = t1466 * t11093; in func_ferr()
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| H A D | mgga_x_br89_explicit.c | 7489 double t11080, t11082, t11084, t11086, t11088, t11089, t11091, t11093; in func_ferr() local
10843 t11093 = t901 * t376; in func_ferr()
10861 … t11089 - 0.32714010435814738527e4 * t11091 + 0.45817347850700080315e2 * t11093 - 0.56588772581796… in func_ferr()
10905 … t11089 - 0.62101282245489236211e4 * t11091 + 0.67861809070650324428e2 * t11093 - 0.80605041210014… in func_ferr()
10914 … t11089 - 0.12416716833116041277e7 * t11091 - 0.14962520495525519502e2 * t11093 - 0.98269934507315… in func_ferr()
10937 … t11089 - 0.11821448099331501734e7 * t11091 - 0.12334244483418836938e2 * t11093 - 0.91864401600119… in func_ferr()
14333 double t11081, t11083, t11084, t11087, t11090, t11093, t11104, t11107; in func_pol() local
22082 t11093 = t1128 * t320; in func_pol()
22086 …79424220606490545e0 * t469 * t11090 + 0.96956929176567949573e0 * t2251 * t11093 + 0.48478464588283… in func_pol()
29984 …1236258911154616e1 * t1136 * t43623 + 0.19391385835313589915e1 * t8228 * t11093 + 0.19391385835313… in func_pol()
[all …]
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| H A D | mgga_k_pc07.c | 8295 double t11083, t11085, t11089, t11093, t11099, t11102, t11104, t11108; in func_pol() local
12864 t11093 = t180 * t190 * t410 * t186; in func_pol()
12868 …t11083 + t930 * t11085 * t533 + 0.5e1 / 0.3e1 * t11089 + 0.5e1 / 0.3e1 * t11093 + t930 * t931 * t2… in func_pol()
12890 …081 + 0.5e1 / 0.6e1 * t11083 + 0.5e1 / 0.9e1 * t11089 + 0.10e2 / 0.9e1 * t11093 + 0.5e1 / 0.9e1 * … in func_pol()
12908 …e1 * t11158 + t11161 + t11140 + 0.5e1 / 0.3e1 * t11145 + 0.5e1 / 0.9e1 * t11093 - t11081 + t11102 … in func_pol()
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| H A D | mgga_x_br89.c | 500 double t11087, t11092, t11093, t11096, t11098, t11105, t11106, t11111; in func_unpol() local
5423 t11093 = t1442 * t11092; in func_unpol()
28736 double t11088, t11089, t11090, t11091, t11092, t11093, t11094, t11095; in func_pol() local
41626 t11093 = t4913 * t11092; in func_pol()
41627 t11094 = t6410 * t11093; in func_pol()
42533 t12148 = t7740 * t11093; in func_pol()
51530 t31802 = 0.32e2 / 0.27e2 * t31800 * t11093; in func_pol()
57559 t58608 = t35639 * t11093; in func_pol()
58850 t65598 = t41976 * t11093; in func_pol()
63283 t91689 = t49326 * t11093; in func_pol()
[all …]
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| H A D | mgga_c_rscan.c | 536 double t11084, t11088, t11093, t11096, t11099, t11100, t11111, t11113; in func_unpol() local
4981 t11093 = t3766 * t93; in func_unpol()
4990 t11121 = t3429 * t11093; in func_unpol()
4993 …t11093 + 0.10747342134875721600e7 * t9452 * t11096 - 0.19460207980844928000e5 * t1627 * t11100 + 0… in func_unpol()
7806 double t11072, t11073, t11074, t11077, t11078, t11081, t11086, t11093; in func_ferr() local
12048 t11093 = t3352 * t891; in func_ferr()
15276 double t11092, t11093, t11095, t11096, t11098, t11099, t11101, t11102; in func_pol() local
28968 t11093 = t7633 * t11092; in func_pol()
28981 … t11087 + 0.11520000000000000000e2 * t11090 + 0.10344835275512400000e5 * t11093 + 0.34482784251708… in func_pol()
29814 … t11087 + 0.23040000000000000000e2 * t11090 + 0.20689670551024800000e5 * t11093 + 0.68965568503416… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 630 double t11087, t11089, t11093, t11095, t11104, t11109, t11112, t11129; in func_pol() local
3814 t11093 = t8 * t3947; in func_pol()
4159 …t13315 = 0.3e1 / 0.4e1 * t11062 + 0.3e1 / 0.4e1 * t11089 + t69 * t3947 / 0.8e1 + t11093 / 0.4e1 + … in func_pol()
4293 …2 + t14167 + t14197 + t14241 + t14277) / 0.8e1 + 0.3e1 / 0.2e1 * t7972 + t11093 + 0.3e1 * t11095 +… in func_pol()
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| H A D | lda_xc_ksdt.c | 2785 double t11079, t11083, t11089, t11093, t11094, t11096, t11099, t11104; in func_pol() local
8996 t11093 = t459 * t10828 * t107; in func_pol()
8997 t11094 = t11093 * t1736; in func_pol()
16011 t38547 = t11093 * t5825; in func_pol()
16273 t40268 = t11093 * t5832; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_q2d.c | 4407 double t11062, t11070, t11072, t11086, t11087, t11090, t11093, t11096; in func_pol() local
12202 t11093 = t3839 * t904; in func_pol()
12213 …t11125 = -0.6e1 * t11087 * t2525 + 0.2e1 * t11090 * t1561 + 0.6e1 * t11093 * t2537 + 0.2e1 * t1109… in func_pol()
16280 …6608e-2 * t25241 + 0.30183472665378109440e-3 * t25201) * t218 + 0.18e2 * t11093 * t3856 - 0.18e2 *… in func_pol()
19103 … * t11093 * t7687 + 0.6e1 * t11093 * t7694 - 0.2e1 * t3861 * t37652 * t1562 - t13800 * t3304 - t26… in func_pol()
19413 …2e1 * t13756 * t3413 - 0.2e1 * t2669 * t8343 - t13800 * t3424 + 0.24e2 * t11093 * t8346 + (0.64259… in func_pol()
21531 …25369 * t904 * t11120 + 0.24e2 * t11093 * t10377 + 0.12e2 * t11093 * t10404 + 0.24e2 * t37638 * t1… in func_pol()
21899 … * t904 * t2525 + 0.12e2 * t26979 * t904 * t2537 + 0.12e2 * t11093 * t11117 + 0.12e2 * t11093 * t1… in func_pol()
22109 ….3e1 * t1578 * t11412 * t2680 - 0.3e1 * t1578 * t38621 * t904 + 0.18e2 * t11093 * t11413 + 0.2e1 *… in func_pol()
23200 …53 - 0.6e1 * t1578 * t3154 * t3422 - 0.24e2 * t11087 * t12523 + 0.24e2 * t11093 * t12542 + 0.12e2 … in func_pol()
[all …]
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| H A D | gga_c_hcth_a.c | 1800 double t11084, t11088, t11090, t11093, t11097, t11099, t11103, t11104; in func_pol() local
6101 t11093 = t4719 * t2990; in func_pol()
6114 …t11145 = t840 * t11090 * t10400 - 0.5e1 / 0.18e2 * t840 * t11093 * t10400 + 0.5e1 / 0.18e2 * t840 … in func_pol()
6690 …t387 - 0.2e1 / 0.3e1 * t840 * t4691 * t14393 + 0.20e2 / 0.27e2 * t4088 * t11093 * t14404 + 0.5e1 /… in func_pol()
7017 …t4697 * t16232 + t840 * t4697 * t16270 / 0.6e1 - 0.5e1 / 0.18e2 * t840 * t11093 * t15988 + 0.2e1 /… in func_pol()
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| H A D | gga_c_revtca.c | 1642 double t11082, t11085, t11086, t11087, t11088, t11089, t11092, t11093; in func_pol() local
6559 t11093 = 0.37587547805703561040e-2 * t10458; in func_pol()
6565 …t11099 = -t10742 + t10743 - t10744 - t11092 + t11093 - t11094 - t11095 - t11096 - t10750 - t10751 … in func_pol()
6737 …t11430 = -t11093 - t11094 - t11095 - t11096 - t10750 - t10751 - t10752 - t10753 + t10754 + t11097 … in func_pol()
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| H A D | gga_c_op_b88.c | 975 double t11007, t11050, t11053, t11061, t11086, t11089, t11093, t11095; in func_pol() local
3895 t11093 = t3187 * t3184; in func_pol()
3898 …+ 0.44458688888888888888e-1 * t3180 * t3192 - 0.26675213333333333334e0 * t11093 + 0.10000000000000… in func_pol()
4119 … t11086 - 0.13337606666666666667e0 * t11089 - 0.13337606666666666667e0 * t11093 - 0.50000000000000… in func_pol()
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| H A D | gga_xc_b97.c | 2120 double t11090, t11092, t11093, t11098, t11103, t11117, t11120, t11126; in func_pol() local
6940 t11093 = t347 * t3427; in func_pol()
6945 …t11126 = t11093 / 0.4e1 + 0.30000000000000000000e1 * t449 * t1218 * t1648 - 0.12414802127193579148… in func_pol()
7410 …1 / 0.32e2 * t11084 - 0.3e1 / 0.32e2 * t11086 + t11088 / 0.16e2 + t11090 / 0.16e2 + t11093 / 0.8e1; in func_pol()
7783 …t16514 = t11090 / 0.48e2 + t11093 / 0.24e2 + 0.50000000000000000001e0 * t6330 * t1152 + 0.16082341… in func_pol()
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| H A D | gga_x_sfat.c | 3298 double t11066, t11081, t11088, t11093, t11103, t11108, t11116, t11120; in func_pol() local
6483 t11093 = t3994 * t1133; in func_pol()
6489 …* t1530 + 0.27e2 * t574 * t1566 * t11088 * t374 + 0.9e1 * t574 * t1577 * t11093 * t1137 - 0.6e1 * … in func_pol()
6750 …12 * t5090 + 0.432e3 * t1554 * t5099 * t4107 - 0.288e3 * t5098 * t1557 * t11093 + 0.720e3 * t5098 … in func_pol()
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| H A D | gga_c_pw91.c | 2313 double t11071, t11075, t11079, t11083, t11085, t11089, t11093, t11095; in func_pol() local
7341 t11093 = t2558 * t4046; in func_pol()
7347 …74107210022222046e0 * t1301 * t826 * t11089 - 0.16227234780939014662e1 * t11093 - 0.20863587575493… in func_pol()
7685 …+ 0.18137053605011111023e0 * t1030 * t12659 - 0.24340852171408521993e1 * t11093 - 0.20284043476173… in func_pol()
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| H A D | gga_c_zvpbeloc.c | 2459 double t11073, t11082, t11084, t11086, t11088, t11090, t11093, t11095; in func_pol() local
7256 t11093 = t2116 * t1351; in func_pol()
7260 … 0.35e2 / 0.576e3 * t11088 - t11090 * t370 / 0.384e3 + 0.7e1 / 0.576e3 * t11093 + 0.7e1 / 0.576e3 … in func_pol()
7391 …19e3 / 0.4608e4 * t11086 - 0.35e2 / 0.384e3 * t11088 + 0.7e1 / 0.384e3 * t11093 + 0.7e1 / 0.384e3 … in func_pol()
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| H A D | gga_c_sogga11.c | 3316 double t10976, t10997, t11012, t11028, t11044, t11061, t11077, t11093; in func_pol() local
8287 …t11093 = -0.77847374733333333330e-1 * t10002 - 0.38923687366666666665e-1 * t10004 - 0.250223704499… in func_pol()
8324 … t11405 + t11208 + t11306 + t11486 + t10997 + t11240 + t11323 + t11159 + t11093 + t11077 + t11339 … in func_pol()
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