| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_xc_th1.c | 607 double t4415, t4417, t4420, t4421, t4423, t4424, t4425, t4427; in func_pol() local
2032 t4425 = t3729 * t4424; in func_pol()
2038 …6e2 / 0.3e1 * t4417 - t3339 + 0.160e3 / 0.9e1 * t4421 + 0.160e3 / 0.9e1 * t4425 + 0.80e2 / 0.3e1 *… in func_pol()
2066 …469 + 0.80e2 / 0.9e1 * t4421 - 0.320e3 / 0.9e1 * t4471 + 0.80e2 / 0.9e1 * t4425 + 0.40e2 / 0.3e1 *… in func_pol()
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| H A D | gga_c_lyp.c | 599 double t4403, t4415, t4424, t4425, t4427, t4428, t4454, t4458; in func_pol() local
2325 t4425 = t69 * t4424; in func_pol()
2331 …t4477 = 0.320e3 / 0.27e2 * t4425 - 0.320e3 / 0.27e2 * t4428 - 0.2e1 * t2077 * t1456 + 0.16e2 / 0.3… in func_pol()
2418 …t4958 = 0.160e3 / 0.9e1 * t4425 - 0.160e3 / 0.9e1 * t4428 - 0.80e2 / 0.81e2 * t4483 + 0.80e2 / 0.2… in func_pol()
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| H A D | gga_x_beefvdw.c | 1768 double t4425, t4429, t4432, t4436, t4446, t4448, t4458, t4459; in func_pol() local
3422 t4425 = t7 * t775 * t301; in func_pol()
3426 …t1843 / 0.9e1 - t4419 / 0.6e1 - 0.5e1 / 0.27e2 * t4422 - 0.5e1 / 0.27e2 * t4425 - 0.25e2 / 0.6e1 *… in func_pol()
3464 …3e1 * t4412 - t4419 / 0.9e1 - 0.10e2 / 0.27e2 * t4422 - 0.10e2 / 0.27e2 * t4425 - 0.41e2 / 0.9e1 *… in func_pol()
3496 …t4901 = -t4861 / 0.8e1 - t4396 / 0.3e1 + t4410 - 0.5e1 / 0.9e1 * t4422 - 0.5e1 / 0.9e1 * t4425 + t… in func_pol()
3537 …t5424 = -t4861 / 0.2e1 - 0.20e2 / 0.27e2 * t4422 - 0.20e2 / 0.27e2 * t4425 + 0.2e1 / 0.3e1 * t1946… in func_pol()
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| H A D | gga_c_op_pbe.c | 864 double t4425, t4439, t4443, t4445, t4457, t4459, t4466, t4470; in func_pol() local
2990 t4425 = t1086 * t1238; in func_pol()
2991 ….90481461500000000000e0 * t164 * t995 * t439 - 0.20000000000000000000e1 * t4425 + 0.36192584600000… in func_pol()
3064 …2 * t4404 + 0.50000000000000000000e0 * t4919 - 0.30000000000000000000e1 * t4425 + 0.54288876900000… in func_pol()
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| H A D | gga_c_bmk.c | 1480 double t4420, t4422, t4424, t4425, t4427, t4428, t4430, t4431; in func_pol() local
3976 t4425 = t4424 * t413; in func_pol()
3983 … * t4420 - 0.31090000000000000000e-1 * t4422 + 0.10000000000000000000e1 * t4425 + 0.10000000000000… in func_pol()
5910 … * t4420 - 0.93270000000000000000e-1 * t4422 + 0.30000000000000000000e1 * t4425 + 0.30000000000000… in func_pol()
6224 …2 * t4962 + 0.10000000000000000000e1 * t4964 + 0.20000000000000000000e1 * t4425 + 0.20000000000000… in func_pol()
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| H A D | gga_x_ityh.c | 2617 double t4418, t4420, t4421, t4422, t4424, t4425, t4426, t4428; in func_pol() local
4625 t4425 = 0.3e1 / 0.4e1 * t4424; in func_pol()
4635 …t4438 = -t4114 - t4086 - t4411 - t4415 - t4417 - t4091 - t4421 - t4425 - t4429 - t4098 - t4433 - t… in func_pol()
5611 …t4088 - t10909 - t4095 - t10910 - t4114 - t4411 - t4415 - t4417 - t4421 - t4425 - t4429 - t4433 - … in func_pol()
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| H A D | gga_x_hjs.c | 2388 double t4418, t4421, t4425, t4430, t4431, t4434, t4443, t4454; in func_ferr() local
3807 t4425 = t1652 * t479 * t1654; in func_ferr()
3811 …2 * t234 + 0.2e1 * t4302 * t258 - 0.12e2 * t482 * t4421 - 0.12e2 * t495 * t4425 - 0.12e2 * t994 * … in func_ferr()
3963 …* t666 + 0.20e2 * t422 * t2688 - 0.12e2 * t1304 * t1655 - 0.12e2 * t652 * t4425 + 0.20e2 * t441 * … in func_ferr()
4611 double t4406, t4409, t4416, t4425, t4426, t4435, t4439, t4442; in func_pol() local
7659 …t4425 = -t4241 / 0.6e1 - t3914 - 0.3e1 / 0.4e1 * t4245 + t4248 / 0.2e1 + t4252 / 0.2e1 + t3925 + 0… in func_pol()
7660 t4426 = t403 * t4425; in func_pol()
10656 t13369 = t1115 * t4425; in func_pol()
11266 t15422 = t1451 * t4425; in func_pol()
16326 …44444444e-1 * t10133 * t1460 * t414 + 0.79099333333333333332e-1 * t3244 * t4425 * t414 + 0.7909933… in func_pol()
[all …]
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| H A D | gga_x_gg99.c | 3674 double t4417, t4418, t4419, t4420, t4422, t4423, t4424, t4425; in func_pol() local
6630 t4425 = t4424 * t318; in func_pol()
6654 …t4507 = 0.7e1 / 0.16e2 * t4422 * t4423 * t4425 + 0.3e1 / 0.8e1 * t4422 * t4429 * t4425 + 0.7e1 / 0… in func_pol()
9302 …1 - 0.7e1 / 0.8e1 * t13866 * t4441 * t333 * t1396 - 0.7e1 / 0.16e2 * t13901 * t5651 * t935 * t4425; in func_pol()
9307 …t17639 = -0.3e1 / 0.8e1 * t13901 * t4441 * t943 * t4425 + t33 * t17529 * t124 * t127 / 0.4e1 + 0.3… in func_pol()
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| H A D | gga_c_hcth_a.c | 1564 double t4424, t4425, t4428, t4433, t4436, t4438, t4441, t4446; in func_pol() local
4118 t4425 = t4418 * t4424; in func_pol()
4139 …t4479 = -0.77604045146005168612e-2 * t2949 * t4420 + 0.40527855302480417200e0 * t2900 * t4425 + 0.… in func_pol()
6125 …36030097336779074e-2 * t9326 * t4420 + 0.27018570201653611466e0 * t9191 * t4425 - 0.51817833333333… in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3382 double t4419, t4420, t4421, t4422, t4423, t4424, t4425, t4426; in func_pol() local
5655 t4425 = 0.11824832552879007143e-1 * t4424; in func_pol()
5680 …t4454 = t4425 + t3823 - t4426 - t4429 - t4432 - t4434 - t4437 - t4441 + t4444 + t3839 - t4445 + t4… in func_pol()
7033 …t10471 = t4425 + t9834 - t3907 / 0.2e1 - t4429 + t10069 - t4432 - t4434 - t4437 - t4441 + t4444 + … in func_pol()
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| H A D | gga_c_regtpss.c | 2477 double t4420, t4421, t4423, t4424, t4425, t4426, t4428, t4429; in func_pol() local
5408 t4425 = 0.50820002809285328225e-5 * t4424; in func_pol()
5417 …e2 + t4412 + 0.85748036236139473944e-3 * t4416 + t4420 - t4421 / 0.48e2 - t4425 + t4429 + t4431 + … in func_pol()
5608 …3 * t4806 + 0.14291339372689912324e-4 * t4809 + 0.7e1 / 0.144e3 * t4419 - t4425 + t4431 + 0.571653… in func_pol()
5780 …t5249 = -t5243 / 0.48e2 + t5035 + 0.40015750243531754508e-2 * t4836 - t5037 + t5038 - t4425 + t442… in func_pol()
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| H A D | gga_c_gaploc.c | 3262 double t4413, t4423, t4425, t4428, t4429, t4431, t4433, t4436; in func_ferr() local
5245 t4425 = t110 * t4423 * t297; in func_ferr()
5258 …t4425 - 0.31311e5 / 0.8192e4 * t4429 + 0.9261e4 / 0.131072e6 * t4436 - 0.2401e4 / 0.2097152e7 * t4… in func_ferr()
6302 double t4417, t4420, t4421, t4424, t4425, t4426, t4429, t4430; in func_pol() local
10427 t4425 = t4424 * t100; in func_pol()
10428 t4426 = t4425 * t432; in func_pol()
11093 t6281 = t4425 * t678; in func_pol()
11387 t6864 = t4425 * t830; in func_pol()
11675 t7560 = t4425 * t887; in func_pol()
15398 t15063 = t4425 * t4401; in func_pol()
[all …]
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| H A D | gga_c_zpbeint.c | 1994 double t4416, t4418, t4419, t4421, t4422, t4423, t4425, t4427; in func_pol() local
5059 t4425 = t4421 * t4422 * t4423; in func_pol()
5071 …t4442 = -0.3e1 * t4416 - t4050 + t4056 + 0.3e1 / 0.32e2 * t4419 + 0.2e1 * t4425 - t4428 + t4431 + … in func_pol()
7784 t13885 = 0.4e1 * t4425; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_pkzb.c | 1183 double t4372, t4382, t4384, t4394, t4420, t4422, t4423, t4425; in func_pol() local
3339 t4425 = t1236 * t1599; in func_pol()
3340 …0 + t4422 + 0.12928320000000000000e1 * t4423 + 0.12928320000000000000e1 * t4425 + 0.48481200000000… in func_pol()
3367 …1 * t4384 + 0.64641600000000000000e0 * t4423 + 0.64641600000000000000e0 * t4425 + 0.86188800000000… in func_pol()
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| H A D | mgga_c_rscan.c | 2958 t4425 = t3319 * t160; in func_unpol()
10143 t4426 = t109 * t4425; in func_ferr()
10145 t4429 = t481 * t4425; in func_ferr()
10147 t4432 = t123 * t4425; in func_ferr()
10148 t4435 = t491 * t4425; in func_ferr()
10149 t4438 = t136 * t4425; in func_ferr()
10150 t4441 = t504 * t4425; in func_ferr()
10152 t4445 = t147 * t4425; in func_ferr()
10153 t4448 = t517 * t4425; in func_ferr()
10154 t4451 = t160 * t4425; in func_ferr()
[all …]
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| H A D | mgga_x_m11_l.c | 4151 double t4415, t4420, t4425, t4426, t4429, t4430, t4440, t4441; in func_pol() local
6270 t4425 = t115 * t4337; in func_pol()
6271 t4426 = t4425 * tau[0]; in func_pol()
8704 … t4459 - 0.440e3 * t161 * t4467 - 0.20e2 / 0.3e1 * t101 * t4425 - 0.80e2 / 0.3e1 * t589 * t4425 - … in func_pol()
8715 …0e3 * t2194 * t4346 - 0.1100e4 / 0.3e1 * t2100 * t4354 - 0.20e2 * t2111 * t4425 - 0.40e2 * t2124 *… in func_pol()
8726 …0.2420e4 / 0.3e1 * t721 * t4459 - 0.20e2 / 0.3e1 * t173 * t4425 - 0.80e2 / 0.3e1 * t675 * t4425 - … in func_pol()
8727 …40e3 * t711 * t4346 - 0.1100e4 / 0.3e1 * t2334 * t4354 - 0.20e2 * t2320 * t4425 - 0.40e2 * t2327 *… in func_pol()
8735 …t4425 - 0.80e2 / 0.3e1 * t751 * t4425 - 0.20e2 * t217 * t4429 - 0.140e3 * t2489 * t4444 - 0.560e3 … in func_pol()
8745 …* t4459 - 0.2420e4 / 0.3e1 * t859 * t4459 - 0.440e3 * t280 * t4467 - 0.20e2 / 0.3e1 * t250 * t4425; in func_pol()
8746 …t15066 = -0.80e2 / 0.3e1 * t813 * t4425 - 0.20e2 * t253 * t4429 - 0.60e2 * t818 * t4429 - 0.20e2 *… in func_pol()
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| H A D | mgga_x_pbe_gx.c | 2644 double t4422, t4425, t4430, t4434, t4440, t4443, t4446, t4448; in func_pol() local
5494 t4425 = t8 * t455 * t541; in func_pol()
5508 ….3e1 / 0.8e1 * t8 * t18 * (t4415 + t4321) * t68 - 0.5e1 / 0.9e1 * t4422 + t4425 / 0.2e1 + t4430 + … in func_pol()
5550 …077404444448e-5 * t1378 * t1371 * t217 * t1373 - 0.5e1 / 0.12e2 * t4422 + t4425 / 0.4e1 - 0.5e1 / … in func_pol()
5622 …t5162 = -t566 * t204 * t671 * t576 / 0.6e1 - 0.5e1 / 0.18e2 * t4422 + t4425 / 0.12e2 - t4706 / 0.9… in func_pol()
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| H A D | mgga_c_kcis.c | 4712 double t4401, t4403, t4406, t4407, t4410, t4413, t4422, t4425; in func_pol() local
9699 t4425 = t4108 * t1226; in func_pol()
9700 t4426 = t4425 * t455; in func_pol()
13456 t12502 = t4425 * t1262; in func_pol()
13606 …5459457720883859e3 * t12880 * t12882 - 0.99491200000000000004e0 * t4134 * t4425 * t1225 + 0.131408… in func_pol()
14679 t15645 = t2246 * t4425; in func_pol()
14720 t15790 = t1218 * t4425; in func_pol()
15883 t19139 = t4425 * t1675; in func_pol()
23923 t49447 = t2460 * t4425; in func_pol()
23965 …0625000000000001e-1 * t8020 * t15750 + 0.11144250000000000001e0 * t2421 * t4425 * t15627 + 0.13930… in func_pol()
[all …]
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| H A D | mgga_c_scanl.c | 253 double t4416, t4422, t4425, t4428, t4431, t4434, t4439, t4442; in func_unpol() local
2490 t4425 = t2211 * t1571; in func_unpol()
2772 t5449 = t4425 * t429; in func_unpol()
4208 …e1 * t4428 * t2256 - 0.19111352870400e2 * t13487 * t2556 - 0.42833280e2 * t4425 * t2556 + 0.178472… in func_unpol()
4243 t13662 = t4425 * t2734; in func_unpol()
4269 t13890 = t4425 * t138; in func_unpol()
4846 t18105 = t4425 * t4070; in func_unpol()
4895 t18497 = t4425 * t328; in func_unpol()
5285 …138880e1 * t1166 * t21796 + 0.10708320e2 * t4434 * t5143 - 0.42833280e2 * t4425 * t5143 + 0.637045… in func_unpol()
5299 ….114668117222400e3 * t21849 - 0.7138880e1 * t21851 - 0.19111352870400e2 * t4425 * t4797 - 0.682168… in func_unpol()
[all …]
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| H A D | mgga_x_mbeefvdw.c | 8748 double t4409, t4414, t4419, t4424, t4425, t4430, t4432, t4434; in func_ferr() local
10923 t4425 = t823 * t549; in func_ferr()
11467 t6277 = t4425 * t3793; in func_ferr()
11612 …t6759 = 0.68097558074074074076e-5 * t4586 * t4563 + 0.25221317805212620028e-4 * t4425 * t4569 - 0.… in func_ferr()
11897 t7829 = t4425 * t1733; in func_ferr()
12035 t8290 = t4425 * t2065; in func_ferr()
14298 …e-5 * t4425 * t11108 - 0.31526647256515775034e-5 * t12444 * t3793 - 0.31526647256515775034e-5 * t1… in func_ferr()
15188 …0.39408309070644718792e-6 * t13364 * t16072 + 0.59112463605967078188e-6 * t4425 * t16195 - 0.19454… in func_ferr()
15354 …t24059 = -0.10508882418838591678e-5 * t4425 * t5201 - 0.51878971879286694103e-1 * t4409 * t5201 + … in func_ferr()
15590 …- 0.19791620781893004115e0 * t4419 * t18252 - 0.94579941769547325106e-5 * t4425 * t18252 + 0.37831… in func_ferr()
[all …]
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| H A D | mgga_x_regtpss.c | 257 double t4417, t4420, t4421, t4423, t4425, t4426, t4430, t4433; in func_unpol() local
2408 t4425 = t228 * t4391; in func_unpol()
2409 t4426 = t4425 * t4412; in func_unpol()
3787 …28835069444444444e0 * t3361 * t2556 * t2942 + 0.67335000000000000000e-1 * t4425 * t13369 - 0.44890… in func_unpol()
3794 …64800000000000000e1 * t2555 * t10455 * t3526 - 0.13467000000000000000e0 * t4425 * t13136 - 0.13218… in func_unpol()
4068 …358948000000e0 * t9990 * t1096 + 0.11635488e2 * t15637 - 0.40401000000000000000e0 * t4425 * t15639; in func_unpol()
4120 …t16206 = 0.20200500000000000000e0 * t4425 * t16182 - 0.37678937596450617284e-1 * t7039 * t15771 - … in func_unpol()
4183 … 0.37408333333333333333e-1 * t13783 * t4406 + 0.67335000000000000000e-1 * t4425 * t16773 + 0.66092… in func_unpol()
4185 …01784761183072847e-1 * t3361 * t2491 * t4217 - 0.13467000000000000000e0 * t4425 * t16794 + 0.40401… in func_unpol()
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| H A D | hyb_mgga_x_pjs18.c | 1874 double t4286, t4307, t4343, t4367, t4393, t4425, t4445, t4450; in func_ferr() local
3038 …t4425 = 0.30720e5 * t105 * t3939 + 0.153600e6 * t354 * t1204 + 0.1843200e7 * t352 * t1218 + 0.1843… in func_ferr()
3039 …1 / 0.4e1 * t516 * t4069 + 0.3e1 / 0.4e1 * t516 * t3957 + 0.24e2 * t103 * t4425 + 0.48e2 * t266 * … in func_ferr()
3635 double t4424, t4425, t4429, t4433, t4434, t4438, t4441, t4444; in func_pol() local
6058 t4425 = 0.120e3 * t4359 + 0.40e2 * t4419 - t4422 - t4424 - t4417; in func_pol()
6070 …t4466 = t4417 + t4425 * t187 - 0.216e3 * t4359 - 0.72e2 * t4419 + 0.10e2 * t4429 * t182 + t4422 + … in func_pol()
8800 t14218 = t4425 * t462; in func_pol()
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| H A D | mgga_x_tm.c | 4211 double t4410, t4412, t4415, t4418, t4421, t4423, t4424, t4425; in func_pol() local
6347 t4425 = 0.146e3 / 0.135e3 * t4424; in func_pol()
6352 ….4860e4 * t4415 + 0.73e2 / 0.3645e4 * t4418 - 0.73e2 / 0.9720e4 * t4421 - t4425 - t1686 + t4427 + … in func_pol()
8712 …* t39 * t1677 * t1193 + 0.73e2 / 0.2430e4 * t39 * t1284 * t1617 - t5730 - t4425 - t1686 + t4427 + … in func_pol()
8971 …93 + 0.292e3 / 0.135e3 * t1513 * t1617 + 0.292e3 / 0.135e3 * t1516 * t1617 - t4425 + t4427 + t4433; in func_pol()
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| H A D | mgga_x_tpss.c | 3609 double t4421, t4422, t4425, t4429, t4430, t4433, t4434, t4436; in func_pol() local
5907 t4425 = t1386 * t4211 * t370; in func_pol()
5911 …v3rhosigmatau[6] = t4186 + t1385 * t4422 - t4210 - t1385 * t4425 / 0.2e1 + t4379 + t3503 * t4430 /… in func_pol()
7621 t11457 = t3351 * t4425; in func_pol()
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| H A D | mgga_x_rscan.c | 264 double t4419, t4421, t4423, t4424, t4425, t4427, t4428, t4429; in func_unpol() local
2740 t4425 = t483 * t4424; in func_unpol()
2741 … + 0.275e3 / 0.1152e4 * t4417 - 0.15e2 / 0.8e1 * t4419 + 0.15e2 / 0.16e2 * t4421 - t4425 / 0.128e3; in func_unpol()
2865 …t4852 = -0.52109375000000000000e-2 * t4425 + 0.25012500000000000000e0 * t4429 + 0.1736979166666666… in func_unpol()
14460 double t4424, t4425, t4432, t4433, t4434, t4441, t4442, t4449; in func_pol() local
18321 t4425 = t3788 * t1057; in func_pol()
18322 …170 + t4177 - t4190 + t4196 - t4203 + t4205 - 0.5193628904128e1 * t4424 * t4425 - 0.133366650e2 * … in func_pol()
22060 …05197772735333333e3 * t9311 * t4466 - 0.21640120433866666667e3 * t13362 * t4425 - 0.1333666500e3 *… in func_pol()
28225 …129111111e6 * t2391 * t4442 - 0.88003156431057777779e4 * t35346 * t4183 * t4425 + 0.27717019923848… in func_pol()
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