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Searched refs:t3587 (Results 1 – 25 of 55) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_c_tca.c931 double t3571, t3575, t3578, t3581, t3587, t3589, t3591, t3593; in func_pol() local
2753 t3587 = t105 * t90 * t91 / t44 / t3556; in func_pol()
2755 …192628889494143e-1 * t3578 - 0.26417494881173259822e-1 * t3581 + 0.33868583180991358745e-2 * t3587; in func_pol()
2761 …385257778988281e-1 * t3578 - 0.52834989762346519640e-1 * t3581 + 0.67737166361982717488e-2 * t3587; in func_pol()
2771 t3612 = 0.13547433272396543498e-1 * t3587; in func_pol()
2782 t3621 = 0.67737166361982717490e-2 * t3587; in func_pol()
2792 …32954103111595312e0 * t3578 - 0.21133995904938607856e0 * t3581 + 0.27094866544793086995e-1 * t3587; in func_pol()
2810 …65908206223190626e0 * t3578 - 0.42267991809877215712e0 * t3581 + 0.54189733089586173990e-1 * t3587; in func_pol()
2813 …32954103111595314e0 * t3578 - 0.21133995904938607858e0 * t3581 + 0.27094866544793086996e-1 * t3587; in func_pol()
H A Dgga_c_p86.c1000 double t3571, t3574, t3576, t3578, t3580, t3583, t3585, t3587; in func_pol() local
2735 t3587 = t1303 * t1252; in func_pol()
2739 …- t3486 - 0.45726089062500000000e-3 * t3585 + 0.30484059375000000000e-3 * t3587 + 0.82602477864757… in func_pol()
2746 t3608 = 0.60968118750000000000e-3 * t3587; in func_pol()
2759 t3622 = 0.12193623750000000000e-2 * t3587; in func_pol()
2789 … + t7 * (-0.85355366250000000000e-2 * t3574 + 0.24387247500000000000e-2 * t3587 + 0.30838258402842… in func_pol()
H A Dgga_c_q2d.c1458 t3587 = t1812 * t575; in func_unpol()
7964 t3587 = t197 * t3586; in func_pol()
7967 t3592 = 0.2e1 * t3587 * t3590; in func_pol()
10013 t7603 = 0.2e1 * t3587 * t7601; in func_pol()
10421 t8257 = 0.2e1 * t3587 * t8255; in func_pol()
11676 t10268 = 0.2e1 * t3587 * t10266; in func_pol()
12160 t10968 = t3587 * t893; in func_pol()
12349 t11358 = 0.2e1 * t3587 * t11356; in func_pol()
13172 t12660 = 0.2e1 * t3587 * t12658; in func_pol()
15870 t25627 = t3587 * t818; in func_pol()
[all …]
H A Dgga_x_bayesian.c847 double t3526, t3537, t3543, t3575, t3587, t3598, t3604, t3636; in func_pol() local
2207 t3587 = 0.1e1 / t436; in func_pol()
2210 …t3587 * t32 - 0.3e1 / 0.16e2 * t604 * t3470 * t605 + t604 * t1429 * t1529 / 0.16e2 - 0.3e1 / 0.128… in func_pol()
H A Dgga_c_lm.c892 double t3577, t3578, t3579, t3580, t3581, t3582, t3586, t3587; in func_pol() local
2544 t3587 = t1487 * t3586; in func_pol()
2545 t3588 = 0.3e1 / 0.4e1 * t3587; in func_pol()
2588 …/ 0.4e1 * t3576 + 0.3e1 * t3579 + 0.3e1 / 0.2e1 * t3581 + 0.3e1 / 0.2e1 * t3587 - t3589 + t3487 - … in func_pol()
H A Dgga_x_sfat_pbe.c1735 double t3523, t3528, t3541, t3542, t3567, t3587, t3604, t3608; in func_ferr() local
2803 t3587 = t437 * t311 * t441; in func_ferr()
2804 … t235 + 0.96495650187227360862e-4 * t1455 * t2155 * t3587 + 0.11219890605564737610e-1 * t1449 * t3… in func_ferr()
2809 …8 = 0.22391691307275971093e-3 * t1455 * t2159 * t3587 + 0.11546584710813661323e-3 * t1455 * t3608 … in func_ferr()
3341 double t3574, t3575, t3579, t3580, t3581, t3582, t3584, t3587; in func_pol() local
5304 t3587 = t2124 * t253; in func_pol()
5305 t3589 = t717 * t3587 * t662; in func_pol()
5771 t4729 = t717 * t3587 * sigma[0]; in func_pol()
6410 …583 * t2111 * t3582 * t1959 - 0.56316023399360705668e-4 * t6583 * t2122 * t3587 * t1959 - 0.435602… in func_pol()
H A Dgga_c_op_pw91.c876 double t3567, t3582, t3583, t3586, t3587, t3590, t3593, t3594; in func_pol() local
2638 t3587 = t527 * t1090; in func_pol()
2660 …t3635 = t3252 - 0.90165771000000000000e0 * t474 * t3587 + 0.20036838000000000000e0 * t3380 * t3590… in func_pol()
4244 …000000000000000000e0 * t1547 * t3386 - 0.90165771000000000000e0 * t1323 * t3587 + 0.50000000000000… in func_pol()
4259 t12678 = t1207 * t3587; in func_pol()
4435 …t13897 = -0.18033154200000000000e1 * t1446 * t3587 - 0.20000000000000000000e1 * t12422 - 0.3606630… in func_pol()
4861 …00e0 * t2075 * t1080 * t3652 - 0.40073676000000000000e0 * t2066 * t1080 * t3587 + 0.80147352000000… in func_pol()
4901 …t17731 = -0.40073676000000000000e0 * t2066 * t1060 * t3587 - 0.53431568000000000000e0 * t16248 * t… in func_pol()
H A Dgga_c_op_b88.c820 double t3587, t3588, t3591, t3594, t3601, t3604, t3607, t3610; in func_pol() local
2572 t3587 = t842 * t3586; in func_pol()
2573 t3588 = t3587 * t973; in func_pol()
2582 t3625 = t3587 * t972; in func_pol()
4190 t13004 = t3587 * t970; in func_pol()
4392 …00000e0 * t207 * t2777 * t3233 * t477 - 0.35566951111111111111e0 * t841 * t3587 * t3654 * t3727 + … in func_pol()
4793 t17699 = t3587 * t4105; in func_pol()
4812 …0000000e0 * t207 * t43 * t17653 * t80 - 0.26675213333333333333e0 * t841 * t3587 * t4106 + 0.200064… in func_pol()
H A Dgga_c_pbe.c1551 double t3577, t3578, t3582, t3583, t3586, t3587, t3590, t3591; in func_pol() local
3703 t3587 = t1108 * t3586; in func_pol()
3711 …e1 * t3150 * t3583 - t3569 * t397 - 0.6e1 * t395 * t3578 + 0.4e1 * t395 * t3587 + 0.2e1 * t395 * t… in func_pol()
5421 … * t1106 * t3578 - 0.6e1 * t395 * t3144 * t1101 * t1042 + 0.4e1 * t1106 * t3587 + 0.2e1 * t395 * t… in func_pol()
5524 …18e2 * t11356 * t3355 * t3356 + 0.3e1 * t10734 * t1179 + 0.12e2 * t1173 * t3587 - 0.3e1 * t1173 * … in func_pol()
5881 … t1231 * t1232 * t388 * t3560 + 0.2e1 * t3732 * t13467 + 0.16e2 * t3729 * t3587 - t13010 + 0.8e1 *… in func_pol()
5912 …t13726 = 0.8e1 * t1251 * t3587 - 0.2e1 * t391 * t3644 * t394 * t397 - 0.2e1 * t1251 * t3604 + 0.2e… in func_pol()
H A Dgga_x_beefvdw.c1746 double t3583, t3585, t3587, t3589, t3591, t3594, t3596, t3598; in func_pol() local
3226 t3587 = t87 * t3513; in func_pol()
3228 …* t3583 - 0.16035503731642003527e10 * t3585 + 0.13692667120045975176e10 * t3587 - 0.75474335259590… in func_pol()
3780 …+ 0.41078001360137925528e10 * t1378 * t1066 - 0.12075893641534405844e11 * t3587 * t222 - 0.2264230… in func_pol()
H A Dgga_xc_b97.c1784 double t3580, t3581, t3584, t3587, t3589, t3590, t3591, t3593; in func_pol() local
4161 t3587 = t1833 * t14; in func_pol()
4162 t3589 = t129 * t3587 * t78; in func_pol()
4196 t3643 = t129 * t3587 * t19; in func_pol()
4637 t4478 = t129 * t3587 * t4476; in func_pol()
4853 t4930 = t129 * t3587 * t4928; in func_pol()
H A Dgga_c_pw91.c1981 double t3571, t3572, t3573, t3579, t3581, t3585, t3586, t3587; in func_pol() local
4597 t3587 = t1454 * t69; in func_pol()
4598 t3588 = t3587 * t290; in func_pol()
7087 t10184 = t3587 * t840; in func_pol()
7089 t10186 = t3587 * t849; in func_pol()
7107 t10262 = t3587 * t911; in func_pol()
H A Dgga_c_zvpbeint.c2362 double t3569, t3571, t3574, t3580, t3584, t3585, t3587, t3589; in func_pol() local
5252 t3587 = t6 * t1225; in func_pol()
5253 t3589 = t770 * t3587 * t348; in func_pol()
7890 … t3600 * t873 + t768 * t770 * t6 * t3264 * t348 / 0.384e3 + t768 * t770 * t3587 * t873 / 0.768e3 -… in func_pol()
7912 …t10165 = -0.7e1 / 0.576e3 * t10129 - 0.7e1 / 0.576e3 * t10131 + t768 * t770 * t3587 * t878 / 0.768… in func_pol()
7937 ….3072e4 + 0.5e1 / 0.384e3 * t1040 * t2176 * t3600 * t758 - t1040 * t770 * t3587 * t758 / 0.384e3 +… in func_pol()
10647 t21933 = t1623 * t5391 * t154 * t3587; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_tpss.c5542 t3587 = t3041 * t1501; in func_pol()
5543 t3588 = t3587 * t1505; in func_pol()
5891 t4401 = t3587 * t1823; in func_pol()
7266 t9358 = t3587 * t3797; in func_pol()
7267 t9360 = t3587 * t3776; in func_pol()
7270 t9376 = t3587 * t3801; in func_pol()
7647 t11536 = t3587 * t4438; in func_pol()
7653 t11555 = t3587 * t4459; in func_pol()
7654 t11556 = t3587 * t4442; in func_pol()
7655 t11557 = t3587 * t4451; in func_pol()
[all …]
H A Dmgga_x_revtm.c164 double t3568, t3580, t3587, t3594, t3597, t3608, t3615, t3618; in func_unpol() local
1450 t3587 = t371 * t380; in func_unpol()
1452 … t3580 * t135 - 0.72e2 * t1127 * t388 - 0.36e2 * t1127 * t395 + 0.324e3 * t3587 * t384 + 0.513e3 /… in func_unpol()
1473 …8e2 * t133 * t3694 + 0.72e2 * t133 * t3702 + 0.6e1 * t133 * t3706 - 0.324e3 * t3587 * t443 - t3709; in func_unpol()
1527 t4022 = t3587 * t76; in func_unpol()
1665 …* t1387 * t534 + 0.12e2 * t539 * t1484 + 0.24e2 * t374 * t2001 - 0.54e2 * t3587 * t843 - 0.216e3 *… in func_unpol()
1775 …t539 * t1832 + 0.12e2 * t539 * t1834 + 0.648e3 * t4291 * t1857 - 0.54e2 * t3587 * t915 - 0.54e2 * … in func_unpol()
1859 …t7252 = 0.12e2 * t1127 * t1012 + 0.6e1 * t1127 * t1014 - 0.54e2 * t3587 * t1039 + 0.7776e4 * t1227… in func_unpol()
4739 double t3563, t3568, t3572, t3577, t3581, t3584, t3587, t3590; in func_pol() local
6678 t3587 = t598 * t1106; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c2610 double t3573, t3576, t3579, t3582, t3585, t3587, t3588, t3592; in func_pol() local
4973 t3587 = t15 * t1322; in func_pol()
4974 t3588 = t3587 * t130; in func_pol()
5000 t3660 = t3587 * t218; in func_pol()
6573 …t9982 * t130 - 0.27081306666666666667e-2 * t2805 * t9985 * t441 - t1000 * t3587 * t449 / 0.2e1 - 0… in func_pol()
6586 …2 * t218 / 0.2e1 - 0.13540653333333333334e-2 * t2805 * t9985 * t598 - t2946 * t3587 * t605 / 0.2e1; in func_pol()
6600 …v4rho2tau2[6] = -t9972 - 0.4e1 / 0.3e1 * t10133 - t1000 * t9978 * t647 / 0.6e1 - t1000 * t3587 * t… in func_pol()
7022 …-2 * t1000 * t11067 * t198 + t11072 + 0.50777450000000000000e-3 * t1000 * t3587 * t854 + 0.3808308… in func_pol()
7052 …t10964 - t1000 * t10965 * t218 / 0.2e1 + t11072 + 0.50777450000000000000e-3 * t1000 * t3587 * t897; in func_pol()
H A Dmgga_x_sa_tpss.c196 double t3571, t3582, t3584, t3585, t3587, t3589, t3595, t3598; in func_unpol() local
1835 t3587 = t801 * t2716; in func_unpol()
1843 …3279 - t1010 * t2182 / 0.8e1 - t3582 / 0.24e2 - 0.3e1 / 0.128e3 * t3585 + t3587 / 0.64e2 + 0.3e1 /… in func_unpol()
3136 …3299 * t1418 * t8789 + 0.24691358024691358024e1 * t3602 + 0.5e1 / 0.6e1 * t3587 - 0.11111111111111… in func_unpol()
7560 double t3582, t3585, t3587, t3590, t3602, t3603, t3612, t3613; in func_pol() local
9810 t3587 = t357 * t3585 * t51; in func_pol()
10295 t4887 = t3587 * t4886; in func_pol()
10868 t6644 = t3587 * t6643; in func_pol()
11250 t7416 = t3587 * t7396; in func_pol()
12782 …t3587 * t11545 - 0.625e3 / 0.1889568e7 * t1141 * t11560 - 0.625e3 / 0.209952e6 * t1128 * t11559 * … in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c1212 double t3585, t3587, t3599, t3608, t3611, t3616, t3625, t3630; in func_pol() local
3208 t3587 = t1072 * t1368; in func_pol()
3210 …0 * t3583 + 0.17931742004451612369e0 * t3585 - 0.65749720682989245353e0 * t3587 + 0.53795226013354… in func_pol()
3253 …1 * t3583 + 0.71726968017806449476e0 * t3585 - 0.26299888273195698142e1 * t3587 - 0.47817978678537… in func_pol()
H A Dmgga_x_ms.c2883 double t3573, t3574, t3577, t3582, t3587, t3593, t3598, t3600; in func_pol() local
5256 t3587 = t317 * t1114; in func_pol()
5264 …+ 0.25e2 / 0.54e2 * t3582 - 0.6e1 * t1631 * t1115 * t312 + 0.2e1 * t630 * t3587 + 0.4e1 * t630 * t… in func_pol()
6768 t10686 = t1679 * t3587; in func_pol()
6773 …115 * t1631 * t808 + 0.2e1 * t1124 * t630 * t808 - 0.6e1 * t1631 * t255 * t3587 - 0.6e1 * t1631 * … in func_pol()
7304 … - 0.31250e5 / 0.6561e4 * t4922 * t11788 * t117 * t124 - 0.12e2 * t1631 * t3587 * t312 - 0.6e1 * t… in func_pol()
H A Dmgga_x_gx.c2467 double t3570, t3575, t3579, t3581, t3587, t3589, t3591, t3593; in func_pol() local
4689 t3587 = t1241 * t136; in func_pol()
4690 t3589 = t8 * t3587 * t1244; in func_pol()
4811 t4210 = t8 * t3587 * t1754; in func_pol()
H A Dmgga_c_m06l.c5626 double t3579, t3582, t3585, t3587, t3590, t3592, t3594, t3596; in func_pol() local
9236 t3587 = t1194 * t828; in func_pol()
9240 …* t3569 + 0.6e1 * t3571 + 0.16e2 / 0.3e1 * t3573 + t3585 * t411 - 0.3e1 * t3587 * t800 - 0.3e1 * t… in func_pol()
9376 …t3800 = -0.3e1 * t3587 * t1069 - 0.2e1 * t1186 * t3779 + t3792 * t411 + 0.2e1 * t3777 - 0.2e1 * t3… in func_pol()
9805 t4541 = t3587 * t1184; in func_pol()
9829 t4592 = t3587 * t1281; in func_pol()
9940 …t4777 = -0.6e1 * t3587 * t1334 - 0.4e1 * t4763 * t3565 + 0.2e1 * t4768 * t411 + 0.4e1 * t4758 - 0.… in func_pol()
9954 …t4800 = -0.4e1 * t1186 * t4786 + 0.2e1 * t1192 * t4791 - 0.6e1 * t3587 * t1389 + 0.4e1 * t4782 - 0… in func_pol()
13446 …2 / 0.3e1 * t11134 - 0.176e3 / 0.9e1 * t11136 + 0.16e2 * t11138 - 0.3e1 * t3587 * t1877 - 0.3e1 * … in func_pol()
15268 t14397 = t3587 * t3559; in func_pol()
[all …]
H A Dmgga_x_mbeef.c16749 t3587 = t691 * t816; in func_ferr()
32424 t3587 = t3586 * t306; in func_pol()
32425 t3588 = t3587 * t3583; in func_pol()
32954 t5504 = t3587 * t5220; in func_pol()
33210 t6845 = t3587 * t6813; in func_pol()
33490 t8091 = t3587 * t7933; in func_pol()
33764 t9222 = t3587 * t9115; in func_pol()
33946 t10022 = t3587 * t9961; in func_pol()
34596 t12231 = t3587 * t12115; in func_pol()
35793 t16413 = t3587 * t15917; in func_pol()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/
H A Dmpfr_yukawa.f90805 t3578,t3581,t3584,t3587,t3590,t3593,t3596,t3599,t3602,t3605,t3607,t3609,& local
2684 t3587 = t110 * t476 * t92
2693 ….CONVERT."0.1964187225D10" / .CONVERT."0.256D3" * t3587 + .CONVERT."0.33D2" * t3590 + .CONVERT."0.…
3096 / .CONVERT."0.32D2" * t3587
3608 …+ .CONVERT."0.24224975775D11" / .CONVERT."0.64D2" * t3587 - .CONVERT."0.41247931725D11" / .CONVERT…
4348 …/ .CONVERT."0.256D3" * t3584 - .CONVERT."0.7202019825D10" / .CONVERT."0.8D1" * t3587 + .CONVERT."0…
4900 …/ .CONVERT."0.128D3" * t3587 - .CONVERT."0.224572072725D12" / .CONVERT."0.32D2" * t5645 + .CONVERT…
5919 / .CONVERT."0.256D3" * t3584 - .CONVERT."0.37102840425D11" / .CONVERT."0.32D2" * t3587 &
7128 …/ .CONVERT."0.64D2" * t3584 + .CONVERT."0.40912783695D11" / .CONVERT."0.64D2" * t3587 - .CONVERT."…
8077 / .CONVERT."0.64D2" * t3587 + .CONVERT."0.661986037125D12" / .CONVERT."0.32D2" * t5645 - &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/
H A Dmpfr_yukawa.f90805 t3578,t3581,t3584,t3587,t3590,t3593,t3596,t3599,t3602,t3605,t3607,t3609,& local
2684 t3587 = t110 * t476 * t92
2693 ….CONVERT."0.1964187225D10" / .CONVERT."0.256D3" * t3587 + .CONVERT."0.33D2" * t3590 + .CONVERT."0.…
3096 / .CONVERT."0.32D2" * t3587
3608 …+ .CONVERT."0.24224975775D11" / .CONVERT."0.64D2" * t3587 - .CONVERT."0.41247931725D11" / .CONVERT…
4348 …/ .CONVERT."0.256D3" * t3584 - .CONVERT."0.7202019825D10" / .CONVERT."0.8D1" * t3587 + .CONVERT."0…
4900 …/ .CONVERT."0.128D3" * t3587 - .CONVERT."0.224572072725D12" / .CONVERT."0.32D2" * t5645 + .CONVERT…
5919 / .CONVERT."0.256D3" * t3584 - .CONVERT."0.37102840425D11" / .CONVERT."0.32D2" * t3587 &
7128 …/ .CONVERT."0.64D2" * t3584 + .CONVERT."0.40912783695D11" / .CONVERT."0.64D2" * t3587 - .CONVERT."…
8077 / .CONVERT."0.64D2" * t3587 + .CONVERT."0.661986037125D12" / .CONVERT."0.32D2" * t5645 - &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_xc_bn05.c933 double t3583, t3584, t3587, t3591, t3597, t3600, t3603, t3606; in func_pol() local
2671 t3587 = t1577 * t225; in func_pol()
2680 ….243e3 * t2080 - 0.5e1 / 0.81e2 * t2059 - t2800 + t2802 + t2811 - t2813 + t3587 * t46 + 0.2e1 * t4… in func_pol()
4256 …* t3635 * t3544 + 0.4e1 / 0.27e2 * t1119 * t563 * t1600 * t1121 + 0.2e1 * t3587 * t441 + 0.4e1 * t… in func_pol()

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