| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_lm.c | 878 double t3357, t3359, t3360, t3362, t3363, t3364, t3365, t3366; in func_pol() local
2419 t3362 = t1381 * t3078 * t1459; in func_pol()
2420 t3363 = 0.36082093603836437506e-1 * t3362; in func_pol()
2501 t3485 = 0.72164187207672875014e-1 * t3362; in func_pol()
2588 …t3673 = -t3483 - t3484 + 0.14432837441534575003e0 * t3362 + 0.72164187207672875015e-1 * t3080 - 0.… in func_pol()
2607 t3736 = 0.10824628081150931252e0 * t3362; in func_pol()
2643 …1 * t3731 - 0.24355413182589595317e0 * t3734 + 0.21649256162301862504e0 * t3362 + 0.9e1 / 0.2e1 * … in func_pol()
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| H A D | gga_k_apbeint.c | 771 double t3362, t3363, t3376, t3395, t3413, t3422, t3428, t3435; in func_pol() local
1997 t3362 = t2945 * t611 / 0.3e1; in func_pol()
2000 … 0.2e1 / 0.3e1 * t1181 * t529 * t589 * t334 - t513 * t529 * t589 * t342 + t3362 + 0.5e1 / 0.3e1 * … in func_pol()
2026 …261 * t1386 * t145 - 0.2e1 * t3428 - 0.2e1 * t513 * t529 * t1390 * t145 + t3362 + 0.5e1 / 0.6e1 * … in func_pol()
2045 …/ 0.9e1 * t550 * t534 + 0.22e2 / 0.27e2 * t239 * t1274) + t3449 - t3351 + t3362 + 0.6e1 * t3422 - … in func_pol()
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| H A D | gga_x_pw86.c | 641 double t3359, t3361, t3362, t3363, t3413, t3423, t3432, t3440; in func_pol() local
1889 t3362 = t167 * params->cc; in func_pol()
1892 … + t3353 + 0.7e1 / 0.75e2 * t430 * t1094 * t1266 * t140 - t3359 - t3361 * t3362 * t3363 * t140 / 0… in func_pol()
1923 …5 * t517 + 0.7e1 / 0.100e3 * t430 * t471 * t222 * t1242 - t3359 - t3361 * t3362 * t3363 * t157 / 0… in func_pol()
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| H A D | gga_x_s12.c | 788 double t3332, t3356, t3362, t3382, t3386, t3397, t3417, t3441; in func_pol() local
2014 t3362 = t1120 * t1369; in func_pol()
2016 v4rhosigma3[9] = -t427 * t461 * t1367 * t129 / 0.2e1 - t3362 / 0.2e1; in func_pol()
2051 …v4rhosigma3[19] = -t3362 / 0.2e1 - t427 * t461 * t1367 * t146 / 0.2e1 - 0.3e1 / 0.8e1 * t182 * t19… in func_pol()
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| H A D | gga_c_pbe.c | 1540 double t3345, t3349, t3354, t3355, t3356, t3357, t3358, t3362; in func_pol() local
3608 t3362 = t370 * t279 * t112; in func_pol()
3609 t3363 = t1115 * t3362; in func_pol()
3654 t3474 = t1147 * t3362; in func_pol()
5300 …- t1169 * t758 - 0.12e2 * t3355 * t3356 * t6738 - 0.4e1 * t3150 * t3168 * t3362 - 0.2e1 * t1106 * … in func_pol()
5332 … t10312 * t9819 - 0.4e1 * t3150 * t3504 * t3152 - 0.4e1 * t3150 * t3258 * t3362 + t1114 * t1147 * … in func_pol()
5430 … t3164 * t10794 - 0.4e1 * t3150 * t3396 * t3376 - 0.4e1 * t3150 * t3396 * t3362 - t10805 * t397 + … in func_pol()
5475 …87 * t139 + 0.2e1 * t395 * t1108 * t404 * t2753 - 0.4e1 * t3150 * t3504 * t3362 - 0.2e1 * t3150 * … in func_pol()
5788 …* t12791 - t12795 / 0.384e3 - t12799 / 0.384e3 + 0.12e2 * t3824 * t3750 * t3362 + 0.12e2 * t3824 *… in func_pol()
5803 …t12957 = 0.12e2 * t12246 * t1254 * t3362 + 0.12e2 * t12246 * t1254 * t3376 - 0.4e1 * t1228 * t3748… in func_pol()
[all …]
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| H A D | gga_c_tca.c | 915 double t3358, t3359, t3360, t3361, t3362, t3364, t3365, t3366; in func_pol() local
2574 t3362 = 0.94067846397004963887e-3 * t3246; in func_pol()
2583 …t3373 = -t3362 - 0.16256919926875852197e-1 * t3251 - t3364 + t3365 - t3366 + t3367 + t3368 - 0.152… in func_pol()
2704 …6919926875852197e-1 * t3470 + t3499 - 0.21142995640708253084e-2 * t3477 - t3362 - t3364 + t3365 - … in func_pol()
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| H A D | gga_k_thakkar.c | 812 double t3362, t3373, t3380, t3389, t3393, t3421, t3430, t3437; in func_pol() local
2067 …t3362 = -0.990e-1 * t2906 * t3312 * t170 + 0.330e-1 * t58 * t1226 * t602 + 0.330e-1 * t58 * t517 *… in func_pol()
2069 …* t1429 * t170 - 0.990e-1 * t58 * t1343 * t531 - 0.88000000000000000000e-1 * t155 * t1433 + t3362); in func_pol()
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| H A D | gga_c_p86.c | 988 double t3360, t3362, t3363, t3365, t3367, t3368, t3370, t3375; in func_pol() local
2606 t3362 = t511 * t1096; in func_pol()
2607 t3363 = t523 * t3362; in func_pol()
2608 t3365 = t510 * t3362; in func_pol()
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| H A D | gga_x_bpccac.c | 1472 double t3357, t3362, t3367, t3369, t3384, t3391, t3398, t3405; in func_pol() local
2897 t3362 = t7 * t546 * t727; in func_pol()
2899 …53 * t554 * t1489 * t151 / 0.3e1 + 0.2e1 / 0.3e1 * t576 * t3357 * t1335 + t3362 / 0.12e2 + t7 * t5… in func_pol()
2940 …42 * t1446 / 0.2e1 - t576 * t577 * t1515 * t222 / 0.6e1 + t3322 / 0.3e1 + t3362 / 0.4e1 - t7 * t22… in func_pol()
2993 … * t576 * t1442 * t1722 - 0.2e1 / 0.3e1 * t3596 - 0.2e1 / 0.3e1 * t3603 + t3362 / 0.2e1 - t7 * t39… in func_pol()
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| H A D | hyb_gga_xc_wb97.c | 1960 double t3361, t3362, t3365, t3366, t3367, t3370, t3371, t3374; in func_pol() local
4634 t3362 = t3361 * t760; in func_pol()
4644 …0000000000000000000e1 * t1088 * t1159 - 0.50000000000000000001e0 * t272 * t3362 - 0.16082341588935… in func_pol()
6969 … * t1088 * t3078 - 0.50000000000000000001e0 * t725 * t3362 - 0.50000000000000000001e0 * t736 * t33… in func_pol()
7692 … t1081 * t3362 - 0.48247024766806046961e2 * t1081 * t3367 - 0.15000000000000000000e1 * t3291 * t11… in func_pol()
10892 …2965 * t3078 - 0.10000000000000000000e1 * t1088 * t6765 - 0.50000000000000000001e0 * t1355 * t3362; in func_pol()
10918 …311930492e4 * t5105 * t6563 * t23600 - 0.10000000000000000000e1 * t1358 * t3362 - 0.10000000000000… in func_pol()
10919 …t25242 = -0.50000000000000000001e0 * t1388 * t3362 + 0.160e3 * t18462 - 0.10000000000000000000e1 *… in func_pol()
11421 …t3362 - 0.15000000000000000000e1 * t1081 * t8859 - 0.48247024766806046961e2 * t2946 * t3367 - 0.15… in func_pol()
11958 … t3308 * t3362 - 0.96494049533612093922e2 * t3308 * t3367 - 0.60000000000000000000e1 * t10411 * t1… in func_pol()
[all …]
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| H A D | gga_x_n12.c | 1152 double t3328, t3331, t3334, t3353, t3354, t3359, t3361, t3362; in func_pol() local
2576 t3362 = t3361 * t998; in func_pol()
2587 …/ 0.3e1 * t3273 - t3277 - t3279 / 0.2e1 - 0.2e1 / 0.3e1 * t3359 - t3316 * t3362 / 0.6e1 - t494 * t… in func_pol()
3341 t7914 = 0.4e1 / 0.9e1 * t7826 * t3362; in func_pol()
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| H A D | gga_c_op_b88.c | 810 double t3351, t3354, t3355, t3358, t3359, t3362, t3365, t3366; in func_pol() local
2482 t3362 = t318 * t3358; in func_pol()
2485 …t3362 - 0.69755831179380000000e2 * t630 * t3366 - 0.33254110647576000000e2 * t2911 * t3359 + 0.399… in func_pol()
4683 … * t3157 * t101 * t223 * t733 - 0.40012820000000000001e0 * t3151 * t263 * t3362 - 0.44458688888888… in func_pol()
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| H A D | gga_c_q2d.c | 7831 t3362 = t139 * t3361; in func_pol()
7832 t3363 = t3362 * t468; in func_pol()
12267 t11180 = t3362 * t2606; in func_pol()
12845 t12055 = t3362 * t1713; in func_pol()
13326 t12949 = t3362 * t3242; in func_pol()
13361 t12993 = t3362 * t8509; in func_pol()
21787 t46466 = t758 * t3362 * t10567; in func_pol()
22562 t48926 = t758 * t3362 * t11659; in func_pol()
23071 t50703 = 0.2e1 * t758 * t3362 * t12456; in func_pol()
23081 t50722 = t758 * t3362 * t12448; in func_pol()
[all …]
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| H A D | gga_c_scan_e0.c | 1566 double t3354, t3355, t3356, t3357, t3358, t3360, t3361, t3362; in func_pol() local
3738 t3362 = t1108 * t3361; in func_pol()
3772 …1716452072078679e-3 * t3344 + t3352 - t3357 + 0.71518739786987016352e-4 * t3362 + 0.71518739786987… in func_pol()
3779 t3414 = 0.14303747957397403270e-3 * t3362; in func_pol()
3797 …6865808288314715e-3 * t3344 + t3425 - t3426 + 0.28607495914794806540e-3 * t3362 + 0.28607495914794… in func_pol()
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| H A D | gga_x_am05.c | 1743 double t3348, t3350, t3352, t3354, t3357, t3360, t3362, t3363; in func_pol() local
3255 …t3362 = t2968 / 0.2e1 + t2973 + t2977 - 0.5e1 / 0.9e1 * t2979 - t2982 / 0.2e1 - 0.3e1 / 0.8e1 * t7… in func_pol()
3277 …t3455 = t9 * (t3362 + t3442) + 0.4e1 / 0.9e1 * t1178 - 0.2e1 / 0.3e1 * t1182 - 0.2e1 * t1186 + 0.4… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mn12.c | 143 double t3345, t3346, t3347, t3350, t3351, t3354, t3357, t3362; in func_unpol() local
1213 t3362 = t3345 * t42; in func_unpol()
1243 ….200e3 / 0.3e1 * t3521 * t3347 - 0.400e3 / 0.3e1 * t1279 * t3362 - 0.200e3 / 0.3e1 * t3526 * t3362; in func_unpol()
1259 …0.200e3 / 0.3e1 * t3669 * t3347 - 0.400e3 / 0.3e1 * t783 * t3362 - 0.200e3 / 0.3e1 * t3674 * t3362; in func_unpol()
1269 …200e3 / 0.3e1 * t3707 * t3347 - 0.400e3 / 0.3e1 * t843 * t3362 - 0.200e3 / 0.3e1 * t3712 * t3362 +… in func_unpol()
1285 …0.200e3 / 0.3e1 * t3921 * t3347 - 0.400e3 / 0.3e1 * t965 * t3362 - 0.200e3 / 0.3e1 * t3926 * t3362; in func_unpol()
1290 ….200e3 / 0.3e1 * t3991 * t3347 - 0.400e3 / 0.3e1 * t1029 * t3362 - 0.200e3 / 0.3e1 * t3996 * t3362; in func_unpol()
1777 …e4 / 0.3e1 * t3991 * t4241 - 0.2240e4 / 0.3e1 * t1672 * t3362 - 0.1120e4 / 0.3e1 * t4364 * t3362 -… in func_unpol()
2042 double t3354, t3357, t3362, t3365, t3366, t3367, t3370, t3373; in func_ferr() local
2940 t3362 = t142 * t708; in func_ferr()
[all …]
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| H A D | mgga_x_revtm.c | 2444 double t3340, t3342, t3345, t3348, t3351, t3358, t3359, t3362; in func_ferr() local
3663 t3362 = my_piecewise3(t15, -0.3e1 / 0.4e1 * t11 * t3359, 0); in func_ferr()
3664 t3363 = t16 * t3362; in func_ferr()
3667 t3369 = t17 * t3362; in func_ferr()
3683 t3443 = t95 * t3362; in func_ferr()
3688 t3471 = t128 * t3362; in func_ferr()
4332 t9448 = t369 * t3362; in func_ferr()
4347 …t9670 = (0.2e1 * t117 * t3362 + 0.2e1 * t16 * t9571 + 0.6e1 * t290 * t2549 + 0.6e1 * t666 * t986 +… in func_ferr()
4517 t11471 = t291 * t3362; in func_ferr()
4519 …t11476 = (0.2e1 * t16 * t11464 + 0.8e1 * t290 * t3362 + 0.6e1 * t11456 + 0.108e3 * t11467 + 0.54e2… in func_ferr()
[all …]
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| H A D | mgga_x_pbe_gx.c | 2598 double t3354, t3356, t3357, t3359, t3360, t3361, t3362, t3363; in func_pol() local
4761 t3362 = 0.1e1 / t3361; in func_pol()
4762 t3363 = t1979 * t3362; in func_pol()
6269 …3235 - t9068 / 0.8e1 + t8900 - 0.83790085880521131921e-8 * t633 * t5579 * t3362 * sigma[2] * t205 … in func_pol()
6314 …667e-2 * t633 * t9083 * t666 - 0.16758017176104226384e-7 * t633 * t5579 * t3362 * t222 * sigma[2] … in func_pol()
6705 t10577 = t3362 * t1587; in func_pol()
6706 …t3362 * t246 * t48 + 0.11790465955388841984e-3 * t3783 * t709 * t48 * t236 + 0.6595449909783055370… in func_pol()
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| H A D | mgga_x_tm.c | 2163 double t3283, t3288, t3299, t3315, t3327, t3330, t3362, t3368; in func_ferr() local
3307 …t3362 = -0.72e2 * t318 * t1125 + (t3299 + t3327) * t94 - 0.72e2 * t118 * t3330 * t302 - 0.72e2 * t… in func_ferr()
3309 …6 * t439 - 0.2e1 * t5 * t9 * t1142 - 0.3e1 / 0.8e1 * t102 * t103 * (t3053 + t3112 + t3273 + t3362); in func_ferr()
4173 double t3362, t3365, t3366, t3369, t3370, t3373, t3384, t3388; in func_pol() local
5964 t3362 = t3361 * t897; in func_pol()
5970 …t906 + 0.6e1 * t1203 * t908 - 0.108e3 * t2578 * t1211 + 0.648e3 * t2587 * t3362 + 0.6e1 * t2605 * … in func_pol()
5982 …t3204 - 0.12e2 * t3343 * t343 + 0.54e2 * t3346 * t923 - 0.648e3 * t3403 * t3362 - 0.12e2 * t341 * … in func_pol()
7773 …9340 * t1211 + 0.162e3 * t9350 * t1211 - 0.1944e4 * t9347 * t3362 - 0.1944e4 * t9357 * t3362 + 0.9… in func_pol()
8127 … - 0.216e3 * t3346 * t3370 - 0.108e3 * t3346 * t3373 + 0.1296e4 * t9254 * t3362 - t11927 + t1668 +… in func_pol()
8354 …t13298 = 0.648e3 * t10722 * t3362 - 0.108e3 * t10733 * t1211 + 0.24e2 * t3794 * t1196 + 0.24e2 * t… in func_pol()
[all …]
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| H A D | mgga_x_2d_js17.c | 988 double t3307, t3329, t3362, t3403, t3408, t3428, t3429, t3431; in func_pol() local
2775 …t3362 = 0.32e2 / 0.225e3 * t358 * t3329 - 0.35296733875326269282e-2 * t141 * t367 + 0.121017373286… in func_pol()
2778 …* t170 * t3307 * t136 - 0.4e1 * t170 * t1274 * t351 - 0.8e1 / 0.3e1 * t170 * t47 * (t3362 + t3403); in func_pol()
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| H A D | mgga_x_sa_tpss.c | 186 double t3353, t3355, t3357, t3362, t3364, t3366, t3368, t3370; in func_unpol() local
1754 t3362 = t1272 * t141; in func_unpol()
1755 t3364 = t2473 * t1129 * t3362; in func_unpol()
1779 t3421 = t3362 * t150; in func_unpol()
1788 t3451 = t2473 * t1151 * t3362; in func_unpol()
1818 t3532 = t1569 * t3141 * t3362; in func_unpol()
5387 t3362 = t1815 * t1966 * t3360; in func_ferr()
9740 t3362 = t109 * t258; in func_pol()
9741 t3363 = 0.1e1 / t3362; in func_pol()
10860 t6618 = 0.1e1 / t22 / t3362; in func_pol()
[all …]
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| H A D | mgga_x_br89_explicit.c | 7268 double t3362, t3365, t3366, t3369, t3370, t3379, t3396, t3397; in func_ferr() local
9028 t3362 = t3361 * t51; in func_ferr()
11039 … * t3362 - t432 * t1073 - 0.19391385835313589915e1 * t550 * t2158 + 0.43630618129455577308e1 * t10… in func_ferr()
13822 double t3344, t3350, t3358, t3359, t3361, t3362, t3376, t3377; in func_pol() local
17807 t3362 = t1768 * t18; in func_pol()
17813 …t3395 = my_piecewise3(t35, t3361, -0.62811071439918130814e-2 * t2127 * t3362 + 0.33527086688457466… in func_pol()
30687 …550 * t3362 - 0.12562214287983626163e-1 * t30553 * t3362 - 0.12562214287983626163e-1 * t7689 * t12… in func_pol()
33093 …00 * t16348 - 0.62811071439918130814e-2 * t41501 * t3362 - 0.62811071439918130814e-2 * t41504 * t3… in func_pol()
34137 …00 * t17800 - 0.12562214287983626163e-1 * t48383 * t3362 - 0.12562214287983626163e-1 * t48386 * t3… in func_pol()
34436 …18 * t18311 - 0.12562214287983626163e-1 * t52081 * t3362 - 0.12562214287983626163e-1 * t52084 * t3… in func_pol()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 336 REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & local
1767 t3362 = t800*t557
1768 t3363 = t327*t3362
1864 *t375*t1443 - 0.120e2_dp*t1616*t1617*t3362 - 0.2133333334e2_dp &
1878 *t1597*t1598*t3362 - 0.2346666666e3_dp*t605*t769 + 0.320e2_dp &
3115 REAL(kind=dp) :: t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, t3378, & local
4543 t3362 = t800*t557
4544 t3363 = t327*t3362
4640 *t375*t1443 - 0.120e2_dp*t1616*t1617*t3362 - 0.2133333334e2_dp &
4654 *t1597*t1598*t3362 - 0.2346666666e3_dp*t605*t769 + 0.320e2_dp &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 336 REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & local
1767 t3362 = t800*t557
1768 t3363 = t327*t3362
1864 *t375*t1443 - 0.120e2_dp*t1616*t1617*t3362 - 0.2133333334e2_dp &
1878 *t1597*t1598*t3362 - 0.2346666666e3_dp*t605*t769 + 0.320e2_dp &
3115 REAL(kind=dp) :: t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, t3378, & local
4543 t3362 = t800*t557
4544 t3363 = t327*t3362
4640 *t375*t1443 - 0.120e2_dp*t1616*t1617*t3362 - 0.2133333334e2_dp &
4654 *t1597*t1598*t3362 - 0.2346666666e3_dp*t605*t769 + 0.320e2_dp &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 922 double t3358, t3360, t3362, t3364, t3366, t3368, t3370, t3373; in func_pol() local
2580 t3362 = t174 * t175 * t3360; in func_pol()
2591 ….36e2 - 0.7e1 / 0.12e2 * t3347 - t3351 / 0.24e2 - t3355 - t3358 / 0.4e1 - t3362 / 0.8e1 - t3366 / … in func_pol()
3824 …* t3347 - t3351 / 0.8e1 - t8103 - 0.3e1 / 0.4e1 * t3358 - 0.3e1 / 0.8e1 * t3362 - 0.3e1 / 0.2e1 * … in func_pol()
4110 …3 / 0.6e1 - 0.5e1 / 0.6e1 * t3347 - t3351 / 0.12e2 - t3354 / 0.3e1 - t3358 / 0.2e1 - t3362 / 0.4e1; in func_pol()
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