| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_revtca.c | 746 t508 = t505 * t507; in func_ferr()
2064 t508 = t507 * t190; in func_pol()
2622 t1504 = t508 * t1503; in func_pol()
2626 t1509 = t508 * t1508; in func_pol()
2642 t1533 = t508 * t1532; in func_pol()
2807 t1790 = t508 * t1789; in func_pol()
2811 t1795 = t508 * t1794; in func_pol()
2820 t1811 = t508 * t1810; in func_pol()
2890 t1923 = t508 * t1922; in func_pol()
2893 t1927 = t508 * t1926; in func_pol()
[all …]
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| H A D | gga_c_op_xalpha.c | 321 double t507, t508, t511, t514, t516, t517, t518, t524; in func_pol() local
688 t508 = t507 * t78; in func_pol()
705 …t543 = -0.10000000000000000000e1 * t504 * t224 - 0.10000000000000000000e1 * t222 * t508 - 0.500000… in func_pol()
982 t1149 = t514 * t508; in func_pol()
983 …0000000e1 * t222 * t294 * t238 * t159 - 0.30000000000000000000e1 * t504 * t508 - 0.150000000000000… in func_pol()
1017 …8888889e0 * t536 * t537 * t511 - 0.43366661777777777778e0 * t536 * t537 * t508 - 0.481851797530864… in func_pol()
1093 …168724279836e-1 * t1260 * t672 - 0.28911107851851851852e0 * t536 * t668 * t508 + 0.321234531687242… in func_pol()
1095 ….10000000000000000000e1 * t504 * t655 - 0.20000000000000000000e1 * t658 * t508 + 0.300000000000000… in func_pol()
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| H A D | gga_x_herman.c | 324 double t503, t508, t510, t512, t514, t516, t518, t520; in func_pol() local
771 t508 = t81 * t251; in func_pol()
780 …2 * t303 - 0.35555555555555555557e-2 * t408 - 0.97777777777777777780e-2 * t508 - t512 / 0.3e1 - t4… in func_pol()
841 …t634 = -0.53333333333333333335e-2 * t408 - 0.29333333333333333334e-1 * t508 + t595 + t598 + t604 -… in func_pol()
1097 …1 * t303 - 0.10666666666666666667e-1 * t408 - 0.19555555555555555556e-1 * t508 - 0.2e1 / 0.3e1 * t… in func_pol()
1122 …t1503 = -t304 - 0.16000000000000000000e-1 * t408 - 0.58666666666666666668e-1 * t508 + t604 - t512 … in func_pol()
1136 …t1629 = -0.11733333333333333334e0 * t508 + 0.42666666666666666668e-1 * t594 + 0.128000000000000000… in func_pol()
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| H A D | gga_x_hcth_a.c | 625 double t490, t492, t493, t496, t499, t502, t504, t508; in func_pol() local
1016 …t508 = -0.24888888888888888889e-2 * t20 * t473 * t41 + 0.93333333333333333332e-3 * t20 * t191 * t1… in func_pol()
1018 v2rhosigma[0] = -t466 / 0.2e1 - t189 * t468 * t469 / 0.2e1 - 0.3e1 / 0.8e1 * t189 * t190 * t508; in func_pol()
1333 t1120 = t7 * t17 * t508; in func_pol()
1335 t1125 = t508 * t87; in func_pol()
1367 t1215 = t468 * t508 * t143; in func_pol()
1708 t2689 = t7 * t94 * t508; in func_pol()
1714 …3 / 0.2e1 - t189 * t342 * t508 * t244 / 0.2e1 - 0.3e1 / 0.2e1 * t189 * t468 * t1184 * t87 - 0.3e1 … in func_pol()
1736 …* t210 / 0.2e1 - t2750 - t1209 * t242 * t508 * t345 / 0.3e1 - t1209 * t1210 * t816 / 0.6e1 - t1219… in func_pol()
1753 …189 * t342 * t508 * t391 / 0.6e1 - t2782 * t1210 * t954 / 0.3e1 - 0.2e1 / 0.3e1 * t2836 - t1209 * … in func_pol()
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| H A D | gga_k_ol2.c | 507 double t498, t500, t501, t503, t505, t507, t508, t510; in func_pol() local
938 t508 = t201 * t65; in func_pol()
939 t510 = t106 * t508 * t108; in func_pol()
975 t584 = t106 * t508 * t123; in func_pol()
1266 t1094 = t106 * t508 * t245; in func_pol()
1278 t1126 = t236 * t508 * t237; in func_pol()
1311 t1286 = t236 * t508 * t273; in func_pol()
1368 t1539 = t236 * t508 * t304; in func_pol()
1370 t1547 = t106 * t508 * t311; in func_pol()
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| H A D | gga_x_ev93.c | 56 double t508, t509; in func_unpol() local
330 t508 = t99 * params->b3 * t42; in func_unpol()
331 t509 = t97 * t508; in func_unpol()
1346 t508 = t506 * t507; in func_pol()
1347 t510 = t217 * t171 * t508; in func_pol()
1691 t1068 = t217 * t380 * t508; in func_pol()
1733 t1160 = t508 * t172; in func_pol()
1754 t1209 = t217 * t433 * t508; in func_pol()
2018 t1622 = t217 * t581 * t508; in func_pol()
2475 t3026 = t217 * t810 * t508; in func_pol()
[all …]
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| H A D | gga_c_zvpbeloc.c | 431 t508 = t506 * t78 * t80; in func_unpol()
3242 t509 = t379 * t508; in func_pol()
3763 t1491 = t508 * t386; in func_pol()
3854 t1631 = t508 * t462; in func_pol()
3898 t1708 = t1429 * t508; in func_pol()
3909 t1725 = t508 * t508; in func_pol()
5113 t4476 = t508 * t917; in func_pol()
5141 t4527 = t508 * t940; in func_pol()
5261 t4818 = t1989 * t508; in func_pol()
5691 t5787 = t915 * t508; in func_pol()
[all …]
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| H A D | gga_x_sogga11.c | 57 double t508, t511, t514, t515, t516, t518, t522, t523; in func_unpol() local
359 t508 = t243 * t480; in func_unpol()
416 …t741 = -0.20e2 / 0.27e2 * t508 * t696 + 0.5e1 / 0.81e2 * t511 * t692 + 0.11e2 / 0.27e2 * t76 * t77… in func_unpol()
438 … t854 / 0.6e1 - t499 * t816 / 0.54e2 - 0.5e1 / 0.18e2 * t505 * t860 + 0.5e1 / 0.18e2 * t508 * t854; in func_unpol()
1372 double t502, t504, t505, t506, t507, t508, t509, t510; in func_pol() local
1845 t508 = t507 * t16; in func_pol()
1848 t512 = t7 * t508 * t510; in func_pol()
1903 t592 = t7 * t508 * t590; in func_pol()
2227 t1363 = t7 * t508 * t1361; in func_pol()
2325 t1559 = t7 * t508 * t1557; in func_pol()
[all …]
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| H A D | gga_k_pw86.c | 508 double t500, t501, t503, t504, t505, t506, t508, t510; in func_pol() local
937 t508 = 0.3e1 * t220 - 0.3e1 * t506; in func_pol()
938 t510 = t83 * t84 * t508; in func_pol()
952 t540 = -t508; in func_pol()
1344 ….4e1 / 0.15e2 * t1176 + 0.4e1 / 0.3e1 * t206 * t84 * t508 * t89 + 0.2e1 / 0.15e2 * t83 * t105 * t5… in func_pol()
1377 t1358 = t83 * t211 * t508; in func_pol()
1413 …e1 * t1488 + 0.5e1 / 0.3e1 * t1491 + t1494 / 0.15e2 + t206 * t84 * t139 * t508 / 0.3e1 - t1502 + t… in func_pol()
1535 … 0.8932e4 / 0.84375e5 * t179 * t2365 * t188 * t566 + t179 * t378 * t188 * t508 / 0.30e2 + 0.203e3 … in func_pol()
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| H A D | gga_x_s12.c | 707 double t508, t509, t512, t514, t517, t518, t521, t524; in func_pol() local
1142 t508 = t276 * t278; in func_pol()
1143 t509 = t508 * t30; in func_pol()
1220 t620 = t508 * t25 * t264; in func_pol()
1430 t1051 = t508 * t110 * sigma[0]; in func_pol()
1523 t1252 = t508 * t110; in func_pol()
1679 t1585 = t508 * t25 * t610; in func_pol()
1829 t2599 = t508 * t264 * sigma[0]; in func_pol()
1910 …0.608e3 / 0.9e1 * t102 * params->D * t264 * t40 - 0.608e3 / 0.9e1 * t35 * t508 * t264 + 0.6e1 * t5… in func_pol()
1986 …228 * t1231 * params->E - 0.48e2 * t35 * t1339 * t1230 + 0.12e2 * t1235 * t508 * t3301 - 0.6e1 * t… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 690 t508 = t268*t67
848 *t508*t271 - 0.1111111112e0_dp*t508*t275 - 0.6172839508e-1_dp* &
1004 *t508*t520 - 0.5555555558e-1_dp*t192*t1235
1281 t1789 = 0.5555555558e-1_dp*t508*t729
1510 + 0.2222222223e0_dp*t508*t878 - 0.1666666668e0_dp*t508*t882 &
2616 t6056 = 0.5555555558e-1_dp*t508*t5271
3466 t508 = t268*t67
3624 *t508*t271 - 0.1111111112e0_dp*t508*t275 - 0.6172839508e-1_dp* &
4057 t1789 = 0.5555555558e-1_dp*t508*t729
4286 + 0.2222222223e0_dp*t508*t878 - 0.1666666668e0_dp*t508*t882 &
[all …]
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| H A D | xc_xbecke88_long_range.F | 289 t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & local
562 t508 = beta*t10
567 t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250
569 t529 = 0.40e1_dp*t508*t17 - 0.80e1_dp*t11*t169 + 0.40e1_dp*t6*t514 &
744 *t525 - 0.40e1_dp*t508*t76*t90 + 0.160e2_dp*t11*t10*t384 - &
798 t1449 = -0.120e2_dp*t508*t76*t168 + 0.240e2_dp*t11*t514 - 0.120e2_dp &
1335 t508 = beta*t10
1340 t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250
1342 t529 = 0.40e1_dp*t508*t17 - 0.80e1_dp*t11*t169 + 0.40e1_dp*t6*t514 &
1517 *t525 - 0.40e1_dp*t508*t76*t90 + 0.160e2_dp*t11*t10*t384 - &
[all …]
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| H A D | xc_vwn.F | 678 t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & local
1010 t508 = 0.1e1_dp/t220/t2
1011 t509 = t219*t508
1022 t538 = 0.1211413728e1_dp*t240*t508
1043 t693 = t295*t508
1255 t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 local
1622 t508 = ba*t393
1623 t513 = -t390 + t392 - 0.1323867073e0_dp*t508*t372 + 0.3177280976e0_dp &
2024 *t508*t874 - 0.9531842928e0_dp*t214*t887
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| H A D | xc_xbecke_roussel.F | 1982 t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & local
2230 t508 = t43*t506*t98
2236 t524 = t508*t118
2240 - 0.3e1_dp*t285*t112*t13*t519 + t109*(-t487 - t508 + t521) &
2244 t549 = (t487 + t508 - t521 - t523 - t524 + t527 + t547)*t121
2248 t568 = (-t487 - t508 + t521 - t523 - t524 + t527 + t547)*t132
2336 t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & local
2580 t508 = 0.4e1_dp/0.9e1_dp*t44*t480 + 0.16e2_dp/0.27e2_dp*t49*t493 + &
2583 t510 = t43*t508*t98
2591 t546 = 0.3e1_dp*t274*t275*t486 + 0.3e1_dp*t280*t112*t13*t508 &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 690 t508 = t268*t67
848 *t508*t271 - 0.1111111112e0_dp*t508*t275 - 0.6172839508e-1_dp* &
1004 *t508*t520 - 0.5555555558e-1_dp*t192*t1235
1281 t1789 = 0.5555555558e-1_dp*t508*t729
1510 + 0.2222222223e0_dp*t508*t878 - 0.1666666668e0_dp*t508*t882 &
2616 t6056 = 0.5555555558e-1_dp*t508*t5271
3466 t508 = t268*t67
3624 *t508*t271 - 0.1111111112e0_dp*t508*t275 - 0.6172839508e-1_dp* &
4057 t1789 = 0.5555555558e-1_dp*t508*t729
4286 + 0.2222222223e0_dp*t508*t878 - 0.1666666668e0_dp*t508*t882 &
[all …]
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| H A D | xc_xbecke88_long_range.F | 289 t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & local
562 t508 = beta*t10
567 t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250
569 t529 = 0.40e1_dp*t508*t17 - 0.80e1_dp*t11*t169 + 0.40e1_dp*t6*t514 &
744 *t525 - 0.40e1_dp*t508*t76*t90 + 0.160e2_dp*t11*t10*t384 - &
798 t1449 = -0.120e2_dp*t508*t76*t168 + 0.240e2_dp*t11*t514 - 0.120e2_dp &
1335 t508 = beta*t10
1340 t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250
1342 t529 = 0.40e1_dp*t508*t17 - 0.80e1_dp*t11*t169 + 0.40e1_dp*t6*t514 &
1517 *t525 - 0.40e1_dp*t508*t76*t90 + 0.160e2_dp*t11*t10*t384 - &
[all …]
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| H A D | xc_vwn.F | 678 t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & local
1010 t508 = 0.1e1_dp/t220/t2
1011 t509 = t219*t508
1022 t538 = 0.1211413728e1_dp*t240*t508
1043 t693 = t295*t508
1255 t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 local
1622 t508 = ba*t393
1623 t513 = -t390 + t392 - 0.1323867073e0_dp*t508*t372 + 0.3177280976e0_dp &
2024 *t508*t874 - 0.9531842928e0_dp*t214*t887
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_1d_soft.c | 257 double t508, t509, t510, t511, t512, t514, t522, t524; in func_pol() local
554 t508 = t97 * t507; in func_pol()
555 t509 = 0.80000000000000000000e1 * t508; in func_pol()
590 …0e1 * t491 + 0.40000000000000000000e1 * t496 - 0.40000000000000000000e1 * t508 + 0.200000000000000… in func_pol()
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| H A D | lda_c_vwn_1.c | 58 double t472, t478, t482, t486, t489, t502, t504, t508; in func_unpol() local
319 t508 = t104 * t124; in func_unpol()
330 …97 * t260 / 0.3e1 + 0.6e1 * t38 * t8 * t502 * t504 - 0.9e1 * t38 * t232 * t508 + 0.3e1 / 0.2e1 * t… in func_unpol()
331 …486 / 0.6e1 - 0.11e2 / 0.648e3 * t359 * t426 * t2 * t15 - 0.36e2 * t371 * t508 + 0.8e1 * t183 * t5… in func_unpol()
405 double t504, t508, t512, t518, t519, t520, t522, t526; in func_ferr() local
667 t508 = t50 * t260; in func_ferr()
676 … * t232 * t500 + 0.3e1 / 0.2e1 * t38 * t103 * t504 + 0.2e1 * t38 * t103 * t508 - t38 * t41 * t535 … in func_ferr()
677 … 0.648e3 * t359 * t418 * t2 * t15 - 0.36e2 * t371 * t500 + 0.8e1 * t183 * t508 + 0.185e3 / 0.864e3… in func_ferr()
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| H A D | lda_c_vwn_rpa.c | 58 double t472, t478, t482, t486, t489, t502, t504, t508; in func_unpol() local
319 t508 = t104 * t124; in func_unpol()
330 …97 * t260 / 0.3e1 + 0.6e1 * t38 * t8 * t502 * t504 - 0.9e1 * t38 * t232 * t508 + 0.3e1 / 0.2e1 * t… in func_unpol()
331 …486 / 0.6e1 - 0.11e2 / 0.648e3 * t359 * t426 * t2 * t15 - 0.36e2 * t371 * t508 + 0.8e1 * t183 * t5… in func_unpol()
405 double t504, t508, t512, t518, t519, t520, t522, t526; in func_ferr() local
667 t508 = t50 * t260; in func_ferr()
676 … * t232 * t500 + 0.3e1 / 0.2e1 * t38 * t103 * t504 + 0.2e1 * t38 * t103 * t508 - t38 * t41 * t535 … in func_ferr()
677 …t478 / 0.6e1 - 0.11e2 / 0.648e3 * t361 * t418 * t2 * t15 + 0.8e1 * t183 * t508 - 0.36e2 * t373 * t… in func_ferr()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_vxc/ |
| H A D | gga_x_lb.c | 505 double t492, t500, t507, t508, t512, t523, t527, t528; in func_pol() local
830 t508 = 0.1e1 / t507; in func_pol()
831 …00 * t34 / 0.9e1 - t500 * t98 / 0.9e1 - 0.2e1 / 0.9e1 * t500 * t225 + 0.2e1 / 0.3e1 * t500 * t508); in func_pol()
901 … * t34 - 0.4e1 / 0.3e1 * t626 * t98 + 0.20e2 / 0.9e1 * t626 * t225 - 0.16e2 / 0.9e1 * t626 * t508); in func_pol()
947 …+ 0.184e3 / 0.27e2 * t756 * t98 - 0.224e3 / 0.27e2 * t756 * t225 + 0.128e3 / 0.27e2 * t756 * t508); in func_pol()
970 …483 * t492), t874 * t34 / 0.8e1 + t874 * t98 / 0.24e2 - t874 * t225 / 0.4e1 - t874 * t508 / 0.4e1); in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_cs.c | 1147 t508 = t78 * t13; in func_pol()
1624 t1374 = t508 * t516; in func_pol()
1629 t1391 = t508 * t513; in func_pol()
1659 t1444 = t508 * t529; in func_pol()
1681 t1491 = t508 * t536; in func_pol()
1695 t1526 = t508 * t545; in func_pol()
1700 t1545 = t508 * t542; in func_pol()
2745 t3766 = t508 * t1380; in func_pol()
2751 t3786 = t508 * t1426; in func_pol()
2759 t3810 = t508 * t1430; in func_pol()
[all …]
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| H A D | mgga_x_tm.c | 753 t1337 = t358 * t508; in func_unpol()
760 t1374 = t508 * t143; in func_unpol()
900 t1855 = t222 * t508; in func_unpol()
1496 t5047 = t508 * t508; in func_unpol()
5101 t1224 = t508 * t121; in func_pol()
5980 t3426 = t508 * t921; in func_pol()
5988 t3454 = t508 * t120; in func_pol()
6309 t4319 = t341 * t508; in func_pol()
6310 t4322 = t920 * t508; in func_pol()
7743 t9174 = t508 * t2588; in func_pol()
[all …]
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-pw92c.c | 1310 real t505, t506, t507, t508, t509, t510, t511; in pw92c_third() local
2152 t508 = 1/POW(t81,3.0); in pw92c_third()
2758 t227)+0.006376968888889*t14*POW(t147,3.0)*t17*t35*t508+0.5* in pw92c_third()
2908 t32*t223*t224+0.006376968888889*t14*t17*t35*t508*t162*t224+ in pw92c_third()
3293 t14*t17*t35*t169*t508*t162*t147+0.009565453333333*t14*t17* in pw92c_third()
3370 t223*t147+0.006376968888889*t14*t17*t35*t175*t508*t162*t147+ in pw92c_third()
3442 t35*t185*t508*t162*t147+0.009565453333333*t14*t17*t286*t32* in pw92c_third()
3493 t14*t17*t35*t169*t175*t508*t147-0.003188484444444*t14*t17* in pw92c_third()
3893 t14*t17*t35*t169*t175*t508*t162-0.003188484444444*t14*t17* in pw92c_third()
4077 t441*t731+0.006376968888889*t14*t17*POW(t175,3.0)*t35*t508- in pw92c_third()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-pw92c.c | 1314 real t505, t506, t507, t508, t509, t510, t511; in pw92c_third() local
2156 t508 = 1/pow(t81,3.0); in pw92c_third()
2762 t227)+0.006376968888889*t14*pow(t147,3.0)*t17*t35*t508+0.5* in pw92c_third()
2912 t32*t223*t224+0.006376968888889*t14*t17*t35*t508*t162*t224+ in pw92c_third()
3297 t14*t17*t35*t169*t508*t162*t147+0.009565453333333*t14*t17* in pw92c_third()
3374 t223*t147+0.006376968888889*t14*t17*t35*t175*t508*t162*t147+ in pw92c_third()
3446 t35*t185*t508*t162*t147+0.009565453333333*t14*t17*t286*t32* in pw92c_third()
3497 t14*t17*t35*t169*t175*t508*t147-0.003188484444444*t14*t17* in pw92c_third()
3897 t14*t17*t35*t169*t175*t508*t162-0.003188484444444*t14*t17* in pw92c_third()
4081 t441*t731+0.006376968888889*t14*t17*pow(t175,3.0)*t35*t508- in pw92c_third()
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