| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_zpbeint.c | 4709 t3875 = t3874 * t810; in func_pol()
5007 t4318 = t3874 * t983; in func_pol()
5009 t4322 = t3874 * t1039; in func_pol()
5010 t4326 = t3874 * t1046; in func_pol()
5176 t4616 = t3874 * t1164; in func_pol()
7427 t12437 = t3874 * t2064; in func_pol()
7428 t12439 = t3874 * t2059; in func_pol()
7431 t12445 = t3874 * t2074; in func_pol()
7445 t12467 = t3874 * t2088; in func_pol()
7446 t12469 = t3874 * t2069; in func_pol()
[all …]
|
| H A D | gga_c_lm.c | 907 double t3874, t3875, t3877, t3878, t3879, t3880, t3881, t3882; in func_pol() local
2675 t3874 = 0.81184710608631984390e-1 * t3873; in func_pol()
2698 …857 - 0.58586286547620645950e-2 * t3859 + t3863 + t3866 - t3869 + t3872 - t3874 - 0.60888532956473… in func_pol()
2752 … + 0.40592355304315992195e-1 * t3969 - 0.16236942121726396878e0 * t3971 - t3874 - 0.16236942121726… in func_pol()
2799 …+ t4008 - t4006 - t4001 + t4004 + t4005 + t3856 + t3863 - t3869 + t3872 - t3874 - t3881 + t3890 + … in func_pol()
|
| H A D | gga_xc_th3.c | 607 double t3874, t3876, t3878, t3880, t3882, t3883, t3885, t3887; in func_pol() local
1960 t3874 = t91 * t640 * t253; in func_pol()
1974 …t3901 = -0.640e3 / 0.27e2 * t3867 - 0.80e2 / 0.81e2 * t3871 + 0.80e2 / 0.9e1 * t3874 - 0.1280e4 / … in func_pol()
1978 …t3950 = -0.160e3 / 0.81e2 * t3871 + 0.160e3 / 0.9e1 * t3874 - 0.2560e4 / 0.27e2 * t3876 + 0.160e3 … in func_pol()
|
| H A D | gga_x_ityh.c | 140 double t3871, t3872, t3873, t3874, t3878, t3879, t3907, t3917; in func_unpol() local
1090 t3874 = t3873 * t210; in func_unpol()
1093 … * t3800 * t70 / 0.24e2 - t1703 * t161 + 0.3e1 * t3872 * t3874 * t1233 - 0.12e2 * t3879 * t3874 * … in func_unpol()
2597 double t3871, t3874, t3883, t3887, t3888, t3892, t3893, t3907; in func_pol() local
4428 t3874 = t1445 * t194; in func_pol()
4441 …t3874 - 0.5e1 / 0.3e1 * t219 * t565 * t49 * t1397 * t63 - 0.5e1 * t1129 * t1130 * t3883 - 0.5e1 / … in func_pol()
5519 …130 * t10486 - 0.30e2 * t1129 * t8094 * t10490 + 0.10e2 * t1129 * t8099 * t3874 + 0.8e1 * t3910 * … in func_pol()
5520 …t10560 = -0.32e2 * t3910 * t1784 * t25 * t3874 + 0.6e1 * t1129 * t3128 * t3892 * t550 - 0.5e1 * t2… in func_pol()
|
| H A D | gga_c_zvpbeint.c | 2377 double t3868, t3870, t3871, t3872, t3873, t3874, t3875, t3876; in func_pol() local
5374 t3874 = t1208 * t419; in func_pol()
5375 t3875 = t5 * t3874; in func_pol()
5378 t3893 = t2136 * t339 * t3874; in func_pol()
5395 t3938 = t2064 * t3874; in func_pol()
5437 t4059 = t114 * t3874 * t169; in func_pol()
8062 …3 * t8778 * t6339 * t1108 * t3388 + 0.5e1 / 0.128e3 * t768 * t6339 * t6 * t3874 * t348 + 0.7e1 / 0… in func_pol()
8153 …t11640 = -0.360e3 * t1088 * t2134 * t3874 * t315 - 0.12e2 * t1088 * t364 * t3764 * t315 + 0.180e3 … in func_pol()
8178 …t11952 = 0.6e1 * t308 * t3874 * t386 * t388 + 0.18e2 * t3083 * t3373 * t1115 + 0.6e1 * t3089 * t32… in func_pol()
8337 …* t962 * t3860 + t6699 + t6702 + 0.36e2 * t1215 * t3409 + 0.24e2 * t308 * t3874 * t453 * t388 + t3… in func_pol()
[all …]
|
| H A D | gga_x_sogga11.c | 1496 double t3844, t3852, t3856, t3862, t3865, t3866, t3871, t3874; in func_pol() local
2970 …t3874 = 0.56e2 / 0.729e3 * t3799 * t3785 - 0.8e1 / 0.2187e4 * t3802 * t3776 + 0.80e2 / 0.729e3 * t… in func_pol()
2978 …t3967 = -0.3e1 / 0.8e1 * t7 * t77 * (t3721 + t3797 + t3874 + t3925) + 0.2e1 / 0.9e1 * t3285 + 0.2e… in func_pol()
|
| H A D | gga_c_op_pw91.c | 889 double t3865, t3868, t3869, t3872, t3873, t3874, t3877, t3878; in func_pol() local
2752 t3874 = t3872 * t3873; in func_pol()
2762 …t3874 + 0.46787446921113792000e2 * t3072 * t3878 + 0.14036234076334137600e3 * t749 * t3881 + 0.842… in func_pol()
|
| H A D | gga_x_hjs.c | 180 double t3869, t3871, t3874, t3886, t3917, t3919, t3920, t3923; in func_unpol() local
1515 t3874 = t1498 * t837; in func_unpol()
1530 …t3965 = -0.27e2 / 0.2e1 * t1512 * t3871 - 0.6e1 * t3874 * t1509 - t3920 * t241 / 0.9e1 - t3923 * t… in func_unpol()
2053 …t3613 * t837 * t1509 - 0.6e1 * t3402 * t837 * t1509 - 0.6e1 * t3874 * t3414 - 0.6e1 * t3874 * t341… in func_unpol()
2062 …18983839999999999999e1 * t5263 * t8738 + 0.20e2 * t5255 * t8738 - 0.2e1 * t3874 * t3325 + 0.2e1 * … in func_unpol()
2121 …t9586 - 0.27e2 * t1512 * t3281 * t9591 + 0.12e2 * t9604 * t3268 + 0.3e1 * t3874 * t3273 + 0.787881… in func_unpol()
2126 …t3874 * t3843 - 0.3e1 * t1507 * t1508 * t3727 + 0.27e2 * t9604 * t3848 - 0.81e2 / 0.2e1 * t7260 * … in func_unpol()
|
| H A D | gga_x_hjs_b88_v2.c | 171 double t3874, t3877, t3882, t3889, t3901, t3911, t3915, t3927; in func_unpol() local
1553 t3874 = t354 * t1372; in func_unpol()
1580 …t4035 = 0.4e1 * t1409 * t881 - 0.4e1 * t3874 * t437 - 0.2e1 * t3877 * t437 - 0.2e1 * t1414 * t913 … in func_unpol()
2443 …88e-1 * t2787 * t517 - 0.15819866666666666667e0 * t2710 * t517 - 0.12e2 * t3874 * t913 - 0.1581986… in func_unpol()
2506 …t387 - 0.35454666666666666666e-1 * t178 * t157 * t3447 * t1551 + 0.12e2 * t3874 * t598 + 0.6e1 * t… in func_unpol()
2680 … - 0.3e1 * t1796 * t1797 * t3447 + 0.3e1 * t3882 * t596 * t1803 + 0.6e1 * t3874 * t596 * t1803 + 0… in func_unpol()
2773 …9 * t2473 - 0.4e1 / 0.3e1 * t1939 * t875 + 0.4e1 * t4588 * t881 - 0.2e1 * t3874 * t1753 - 0.2e1 * … in func_unpol()
6607 double t3864, t3869, t3874, t3883, t3886, t3891, t3892, t3899; in func_pol() local
9761 t3874 = t1647 * t26; in func_pol()
9766 …t3864 * t3726 / 0.4e1 - t3869 * t3723 / 0.18e2 + t3869 * t3726 / 0.18e2 + t3874 * t3726 / 0.6e1 + … in func_pol()
[all …]
|
| H A D | gga_c_pw91.c | 1999 double t3874, t3876, t3878, t3879, t3880, t3883, t3884, t3887; in func_pol() local
4734 t3874 = t337 * t1492; in func_pol()
4744 … - t3132 - 0.57471456515825676929e0 * t3141 + 0.50710108690434420817e-1 * t3874 - 0.25355054345217… in func_pol()
4977 …t126 * t4394 + 0.3e1 / 0.16e2 * t803 * t4398 + 0.15213032607130326246e0 * t3874 - 0.76065163035651… in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 4255 double t3873, t3874, t3875, t3880, t3888, t3896, t3900, t3906; in func_pol() local
6318 t3874 = t980 * t2984; in func_pol()
6326 …t3929 = -0.2e1 * t977 * t3044 - 0.4e1 * t3874 * t559 * t3875 - t3888 * t1519 / 0.3e1 - t981 * t298… in func_pol()
6878 … * t1811 + 0.6e1 * t3874 * t5439 + t981 * t4632 - 0.3e1 * t3880 * t5444 - 0.2e1 * t3906 * t1804 - … in func_pol()
7367 … * t3888 * t606 - 0.2e1 * t977 * t7476 + 0.2e1 * t3874 * t7480 + 0.6e1 * t3880 * t7510 - 0.12e2 * … in func_pol()
7369 …t3874 * t7573 - 0.3e1 * t3900 * t7581 - t370 * t7585 + t977 * t7565 + t370 * t7568 / 0.2e1 - t981 … in func_pol()
7690 …t3874 * t559 * t9908 + 0.2e1 * t370 * t9913 + 0.6e1 * t3900 * t194 * t9908 - 0.2e1 / 0.3e1 * t3880… in func_pol()
7708 …t3874 * t578 * t9963 - 0.3e1 * t3880 * t2720 * t9963 - 0.3e1 * t3900 * t194 * t9963 - t370 * t9974… in func_pol()
8311 …t3874 * t11507 + t3880 * t11486 / 0.18e2 + 0.10e2 / 0.3e1 * t3880 * t11489 + 0.6e1 * t3874 * t1148… in func_pol()
8312 …t11929 = -0.2e1 * t977 * t11527 + 0.2e1 * t3874 * t11530 - t3880 * t11533 / 0.9e1 - t370 * t11537 … in func_pol()
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_cs.c | 797 double t3874, t3875, t3876, t3884, t3886, t3890, t3892, t3894; in func_pol() local
2786 t3874 = 0.78150949069762311111e-5 * t3737 * t188; in func_pol()
2787 …2887256160000000000e-2 * t3863 - 0.27767806617760000000e-3 * t3865 - t3868 - t3870 - t3872 - t3874; in func_pol()
2899 …0962418720000000000e-2 * t3863 - 0.18511871078506666667e-3 * t3865 - t3868 - t3870 - t3872 - t3874; in func_pol()
2956 …e-3 * t3861 - 0.92559355392533333333e-4 * t3865 - t3868 - t3870 - t3872 - t3874 - 0.93712931527111… in func_pol()
2973 …* t4185 + t3840 + t3842 + t3844 + t3846 + t3848 - t3868 - t3870 - t3872 - t3874 - 0.3895056e-1 * t… in func_pol()
|
| H A D | mgga_c_scanl.c | 2328 t3874 = t964 * t1155; in func_unpol()
7787 t3874 = t2390 * t882; in func_ferr()
15749 t3874 = t1002 * t1002; in func_pol()
15750 t3875 = t3874 * t140; in func_pol()
15751 t3878 = t3628 * t3874; in func_pol()
15757 t3889 = t1665 * t3874; in func_pol()
15760 t3896 = t1698 * t3874; in func_pol()
21226 t17256 = t3874 * t911; in func_pol()
21284 t17381 = t3874 * t300; in func_pol()
21574 t18299 = t220 * t3874; in func_pol()
[all …]
|
| H A D | mgga_c_tpss.c | 9082 t3874 = t1190 * t748; in func_pol()
9083 t3875 = t3874 * t677; in func_pol()
9309 t4350 = t3874 * t999; in func_pol()
12628 t12934 = t3874 * t1868; in func_pol()
12632 t12944 = t3874 * t1881; in func_pol()
13140 t14309 = t3874 * t2803; in func_pol()
13143 t14318 = t3874 * t2728; in func_pol()
13859 t16341 = t3874 * t3427; in func_pol()
13861 t16349 = t3874 * t3448; in func_pol()
17115 t24587 = t3874 * t25; in func_pol()
[all …]
|
| H A D | mgga_x_2d_prhg07.c | 2347 double t3870, t3871, t3872, t3873, t3874, t3883, t3895, t3896; in func_ferr() local
3613 t3874 = 0.3e1 / 0.8e1 * t3873; in func_ferr()
3614 …862 - t549 * t973 / 0.2e1 - t549 * t984 / 0.4e1 - t3868 - t3870 + t3872 + t3874 + 0.9e1 / 0.16e2 *… in func_ferr()
3698 …t4189 = t3874 - t3641 + t3674 + t3677 - t3687 - t3689 + t3691 + t3693 - t3718 - t3720 - t4060 - t4… in func_ferr()
3784 …t4726 = -t3862 - t3868 - t3870 + t3872 + t3874 - t4049 + t4050 + t4051 - t4052 - t4053 + t4054 + t… in func_ferr()
4472 double t3867, t3868, t3869, t3870, t3873, t3874, t3877, t3879; in func_pol() local
7593 t3874 = t3873 * t881; in func_pol()
7598 …8 - t3869 + t3870 - 0.3e1 / 0.8e1 * t404 * t3846 + 0.3e1 / 0.8e1 * t404 * t3874 + t141 * t3877 - 0… in func_pol()
11846 t17910 = 0.9e1 / 0.16e2 * t220 * t3874; in func_pol()
11847 …t17911 = t17846 - t17848 - t17850 - 0.3e1 / 0.8e1 * t1462 * t3846 + 0.3e1 / 0.8e1 * t1462 * t3874 … in func_pol()
[all …]
|
| H A D | mgga_x_vt84.c | 3456 double t3874, t3877, t3892, t3896, t3907, t3909, t3911, t3914; in func_ferr() local
5042 t3874 = t3388 * t97; in func_ferr()
6715 double t3864, t3866, t3867, t3874, t3879, t3880, t3881, t3882; in func_pol() local
9131 t3874 = t323 * t107; in func_pol()
9132 …867 + t569 * t967 - 0.2e1 * t1415 * t344 - 0.2e1 * t2825 * t585 + 0.4e1 * t3874 * t1470 - 0.2e1 * … in func_pol()
11217 …78 + 0.4e1 * t323 * t2943 + 0.3e1 * t105 * t9519 * t107 * t109 + 0.24e2 * t3874 * t2833 - 0.6e1 * … in func_pol()
11559 …* sigma[0] - 0.14902499999999999999e1 * t2881 * t11385 * t4053 - 0.18e2 * t3874 * t4119 + 0.939739… in func_pol()
11656 …70370370370369e1 * t3955 * t9731 - 0.3e1 * t4017 * t355 * t1501 + 0.6e1 * t3874 * t4112 - 0.3e1 * … in func_pol()
11663 …91673819576612e0 * t12077 * t940 - t569 * t2961 - t2933 * t598 + 0.12e2 * t3874 * t4109 + 0.6e1 * … in func_pol()
12216 … * t337 + 0.2e1 * t15383 * t337 - 0.6e1 * t1468 * t5581 * t982 - 0.12e2 * t3874 * t5582 - 0.2e1 * … in func_pol()
[all …]
|
| H A D | mgga_x_scanl.c | 7474 t3874 = t2883 * t349; in func_ferr()
14161 t3875 = t3874 * t3823; in func_pol()
14863 t5339 = t3874 * t684; in func_pol()
15406 t6602 = t3874 * t860; in func_pol()
15818 t7741 = t3874 * t2639; in func_pol()
16693 t10145 = t3874 * t3285; in func_pol()
18079 t14486 = t3874 * t1124; in func_pol()
18771 t18058 = t3874 * t1767; in func_pol()
19450 t22028 = t3874 * t2258; in func_pol()
19963 t24754 = t3874 * t2635; in func_pol()
[all …]
|
| H A D | mgga_x_regtpss.c | 228 double t3857, t3866, t3867, t3874, t3877, t3878, t3881, t3887; in func_unpol() local
2166 t3874 = t113 * t3711; in func_unpol()
2170 …547200000000000000e0 * t1034 * t1035 * t1360 - 0.21149448463664115362e0 * t3874 * t1045 - 0.430944… in func_unpol()
2506 …+ 0.80802000000000000000e-1 * t1289 * t4664 + 0.79310431738740432605e-1 * t3874 * t1299 + 0.217030… in func_unpol()
3512 … + 0.17495237078595277703e-1 * t3712 * t2493 - 0.20759039240234666668e0 * t3874 * t2518 - 0.861888… in func_unpol()
3530 …0759039240234666668e0 * t1359 * t2516 * t553 + 0.77547977700101756327e0 * t3874 * t2548 + 0.563985… in func_unpol()
4185 …t16813 = -0.29192398931579999999e-1 * t3874 * t4417 + 0.43406136111111111112e1 * t13129 * t4669 + … in func_unpol()
4507 double t3874, t3881, t3883, t3885, t3888, t3889, t3891, t3893; in func_ferr() local
6325 …t3874 = (0.27562962421875000000e-1 * t3856 * t354 - 0.51680554541015625000e-2 * t1355 * t3859 + 0.… in func_ferr()
6336 …t3911 = t3874 * t39 / 0.24e2 + t1023 * t276 / 0.8e1 + 0.292e3 / 0.675e3 * t292 * t1039 + 0.292e3 /… in func_ferr()
[all …]
|
| H A D | mgga_x_revtm.c | 2458 double t3811, t3818, t3821, t3824, t3829, t3832, t3850, t3874; in func_ferr() local
3765 …t3874 = 0.7776e4 * t1116 * t3760 * t3762 - 0.1080e4 * t17 * t368 * t3762 - 0.162e3 * t3586 * t368 … in func_ferr()
3768 …27e2 / 0.100e3 * t444 * t3818 - 0.27e2 / 0.50e2 * t3821 * t445 + (t3850 + t3874) * t103 + 0.171e3 … in func_ferr()
4748 double t3856, t3859, t3860, t3863, t3874, t3878, t3881, t3884; in func_pol() local
6748 …t3874 = 0.12e2 * t1358 * t1015 + 0.6e1 * t1358 * t1017 + 0.24e2 * t1022 * t1351 + 0.12e2 * t1022 *… in func_pol()
6754 …108e3 * t3884 * t1366 - 0.24e2 * t1372 * t3611 - 0.12e2 * t1372 * t3613 + t3874 * t205 - 0.648e3 *… in func_pol()
8690 t10434 = t3874 * t420; in func_pol()
|
| H A D | mgga_x_mn12.c | 2050 double t3856, t3857, t3869, t3872, t3873, t3874, t3877, t3878; in func_ferr() local
3010 t3874 = t3873 * t174; in func_ferr()
3019 …t3903 = 0.65536000000000000002e-10 * t360 * t3869 + 0.20479999999999999999e-9 * t158 * t3874 - 0.1… in func_ferr()
3369 …07200000000000000e-9 * t1029 * t3869 + 0.40959999999999999998e-9 * t431 * t3874 + 0.34952533333333… in func_ferr()
3424 …9999e-9 * t146 * t3874 + 0.9216e-8 * t1293 * t1790 + 0.72089600000000000001e-9 * t158 * t3869 + 0.… in func_ferr()
3438 …6000000000000002e-10 * t1575 * t3869 + 0.20479999999999999999e-9 * t636 * t3874 + t8935 + t8967 + … in func_ferr()
|
| H A D | mgga_c_tpssloc.c | 4145 double t3850, t3853, t3857, t3858, t3865, t3874, t3875, t3879; in func_pol() local
10745 t3875 = t471 * t3874; in func_pol()
15132 t14419 = t1679 * t3874; in func_pol()
15214 t14749 = t2861 * t3874; in func_pol()
17663 t21214 = t4589 * t3874; in func_pol()
18397 t23561 = t5882 * t3874; in func_pol()
18428 t23685 = t5947 * t3874; in func_pol()
25681 t52874 = t1013 * t3874; in func_pol()
26418 t59312 = t3874 * t3874; in func_pol()
29622 t77367 = t16352 * t3874; in func_pol()
[all …]
|
| H A D | mgga_c_scan.c | 3680 double t3872, t3873, t3874, t3875, t3876, t3877, t3878, t3879; in func_pol() local
7436 t3874 = 0.32e2 * t3235; in func_pol()
7442 …t3880 = -t3869 + t3224 - t3228 + t3870 - t3234 + t3179 + t3873 + t3183 - t3186 - t3874 - t3238 - t… in func_pol()
7592 …t4287 = t3186 + t3874 + t4274 + t3238 + t3242 + t3246 + t3875 + t3876 - 0.2363e1 * t471 * t4275 - … in func_pol()
7596 t4293 = t3873 + t3183 - t3186 - t3874 - t4274 - t3238 - t3242 - t3246 - t3875 - t3876 + t3879; in func_pol()
7795 …t4757 = -t3228 + t4747 - t3234 + t3179 + t4748 + t3183 - t3186 + t3874 - t3238 - t3242 - t3246 - t… in func_pol()
7873 …t4976 = -t3183 + t3186 - t3874 + t3238 - t4975 + t3242 + t3246 + t4749 + t4752 + t4282 - t3879 - t… in func_pol()
7879 …t4986 = t3874 - t3238 + t4975 - t3242 - t3246 - t4749 - t4752 + 0.2e1 * t4984 + t3879 + t4754 - t4… in func_pol()
|
| H A D | mgga_c_b88.c | 2660 double t3856, t3860, t3870, t3871, t3872, t3873, t3874, t3875; in func_pol() local
5637 t3874 = t9 * t3873; in func_pol()
5638 t3875 = 0.80000000000000000000e0 * t3874; in func_pol()
8619 …t12199 = -0.12000000000000000000e1 * t3871 - 0.24000000000000000000e1 * t3874 - 0.1200000000000000… in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_erf.c | 553 double t3848, t3851, t3854, t3856, t3861, t3865, t3870, t3874; in func_pol() local
2117 t3874 = t1250 * t11; in func_pol()
2118 t3876 = t10 / t3874; in func_pol()
2362 t5092 = 0.1e1 / t45 / t3874; in func_pol()
2417 t5395 = 0.1e1 / t18 / t3874; in func_pol()
|
| H A D | lda_c_pmgb06.c | 1535 double t3874, t3877, t3878, t3879, t3880, t3881, t3883, t3886; in func_pol() local
4524 t3874 = t117 * t711 * t528 * t111; in func_pol()
4538 …t3900 = -0.71845404061527654564e-1 * t3874 + t3877 - t3880 - t3883 - 0.31505407223141117834e-1 * t… in func_pol()
4795 …02162889256447134e0 * t3896 - t3899 + t4567 - 0.47896936041018436376e-1 * t3874 + t3770 - 0.197538… in func_pol()
5455 …0814446282235668e-1 * t3896 - t3899 + t4567 - 0.23948468020509218188e-1 * t3874 + t3770 - 0.395077… in func_pol()
|