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Searched refs:t457 (Results 1 – 25 of 302) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_vmt84.c667 t457 = t456 * t39; in func_ferr()
1218 t457 = t4 * t456; in func_pol()
1221 t461 = t457 * t458 * t459; in func_pol()
1388 t847 = t457 * t458 * t845; in func_pol()
1506 t1097 = t457 * t1095 * t459; in func_pol()
1510 t1102 = t457 * t1099 * t1100; in func_pol()
1516 t1114 = t457 * t458 * t1112; in func_pol()
1525 t1130 = t457 * t1128 * t459; in func_pol()
1527 t1134 = t457 * t458 * t1132; in func_pol()
1622 t1362 = t457 * t458 * t1360; in func_pol()
[all …]
H A Dgga_x_pw91.c1351 t457 = t4 * t456; in func_pol()
1354 t461 = t457 * t458 * t459; in func_pol()
1540 t807 = t457 * t458 * t805; in func_pol()
1665 t1040 = t457 * t1038 * t459; in func_pol()
1670 t1046 = t457 * t1043 * t1044; in func_pol()
1676 t1056 = t457 * t1054 * t459; in func_pol()
1678 t1060 = t457 * t458 * t1058; in func_pol()
1711 t1140 = t457 * t1043 * t1138; in func_pol()
1715 t1148 = t457 * t458 * t1146; in func_pol()
1736 t1193 = t457 * t458 * t1191; in func_pol()
[all …]
H A Dgga_c_tca.c53 double t442, t445, t449, t451, t452, t454, t455, t457; in func_unpol() local
296 t457 = t26 * t27; in func_unpol()
316 t562 = t167 * t379 * sigma[0] * t457; in func_unpol()
341 t737 = t167 * t143 * t493 * t457; in func_unpol()
349 t801 = t167 * t354 * t413 * t457; in func_unpol()
410 double t441, t448, t452, t454, t455, t457, t458, t460; in func_ferr() local
652 t457 = pow(t33, 0.60e0); in func_ferr()
653 t458 = t457 * t167; in func_ferr()
673 t562 = t19 * t165 * t457; in func_ferr()
782 double t443, t447, t450, t452, t453, t454, t457, t459; in func_pol() local
[all …]
H A Dgga_x_pw86.c556 double t437, t450, t451, t456, t457, t458, t462, t463; in func_pol() local
968 t457 = t61 * t167; in func_pol()
971 v2rhosigma[2] = -t430 * t457 * t458 / 0.30e2 - t456 / 0.30e2; in func_pol()
982 t468 = t457 * t467; in func_pol()
1328 t1089 = t457 * t1088; in func_pol()
1334 t1103 = t457 * t485 * t140; in func_pol()
1352 t1127 = t457 * t1126; in func_pol()
1354 t1131 = t457 * t1130; in func_pol()
1396 t1205 = t457 * t517 * t140; in func_pol()
1426 t1229 = t457 * t1228; in func_pol()
[all …]
H A Dgga_k_apbeint.c678 double t440, t441, t444, t449, t454, t457, t458, t460; in func_pol() local
1076 t457 = t449 * t63 / 0.24e2 - 0.2e1 / 0.9e1 * t187 * t190 + 0.11e2 / 0.27e2 * t73 * t454; in func_pol()
1077 t458 = t166 * t457; in func_pol()
1349 t926 = t385 * t457 * t145; in func_pol()
1394 t1012 = t193 * t457; in func_pol()
1401 t1019 = t457 * t160; in func_pol()
1535 t1270 = t243 * t457; in func_pol()
1819 …9 * t420 * t334 - 0.4e1 / 0.3e1 * t2157 + t819 * t385 * t457 * t334 / 0.3e1 + t384 * t385 * t457 *… in func_pol()
1862 …0.4e1 * t2373 + 0.2e1 * t819 * t385 * t457 * t405 + 0.2e1 * t384 * t385 * t1076 * t160 + 0.3e1 * t… in func_pol()
1870 t2648 = t457 * t457; in func_pol()
[all …]
H A Dgga_x_lspbe.c49 double t345, t362, t363, t367, t385, t426, t457, t480; in func_unpol() local
251 t457 = 0.1e1 / t21 / t202; in func_unpol()
253 … t47 * t48 * (t323 * t457 * t12 * t54 * t9 / 0.216e3 - t194 * t294 * t274 / 0.12e2 + t228 * t275 *… in func_unpol()
547 double t435, t438, t440, t452, t453, t457, t458, t461; in func_pol() local
919 …t457 = t360 * t227 * t440 * sigma[2] / 0.108e3 - t142 * t99 * t145 / 0.9e1 + t107 * t23 * t145 * t… in func_pol()
920 t458 = t173 * t457; in func_pol()
1232 t1031 = t424 * t457 * t117; in func_pol()
1245 t1049 = t424 * t457 * t134; in func_pol()
1576 … * t180 / 0.2e1 - t2383 / 0.6e1 - t2386 - t161 * t305 * t457 * t262 / 0.6e1 - t161 * t424 * t457 *… in func_pol()
1591 …* t813 / 0.3e1 - 0.4e1 / 0.3e1 * t2436 - t1002 * t260 * t457 * t308 / 0.3e1 + t1012 * t424 * t457 … in func_pol()
[all …]
H A Dgga_c_pbe.c2502 t1068 = t457 * t1067; in func_pol()
3025 t1980 = t457 * t1979; in func_pol()
3176 t2353 = t457 * t318; in func_pol()
3220 t2439 = t457 * t373; in func_pol()
3242 t2463 = t457 * t2462; in func_pol()
3343 t2764 = t457 * t2763; in func_pol()
3358 t2793 = t457 * t2792; in func_pol()
3377 t2816 = t457 * t2815; in func_pol()
5076 t9189 = t457 * t3074; in func_pol()
5160 t9495 = t457 * t3199; in func_pol()
[all …]
H A Dgga_x_ev93.c305 t457 = t221 * t232; in func_unpol()
306 t458 = t97 * t457; in func_unpol()
1313 t457 = t118 + t311; in func_pol()
1314 t458 = t66 * t457; in func_pol()
1326 t474 = -t457; in func_pol()
1718 t1133 = t157 * t457; in func_pol()
1794 t1275 = t185 * t457; in func_pol()
2005 t1606 = t254 * t457; in func_pol()
2487 t3087 = t184 * t457; in func_pol()
2532 t3450 = t457 * t457; in func_pol()
[all …]
H A Dgga_x_c09x.c515 double t442, t446, t447, t457, t458, t464, t471, t472; in func_pol() local
887 …t457 = -0.68555555555555555555e-2 * t23 * t136 * t55 + 0.41390416666666666666e-4 * t94 * t442 * t5… in func_pol()
888 t458 = t180 * t457; in func_pol()
1195 t1018 = t425 * t457 * t112; in func_pol()
1208 t1036 = t425 * t457 * t129; in func_pol()
1532 … * t194 / 0.2e1 - t2346 / 0.6e1 - t2349 - t161 * t309 * t457 * t266 / 0.6e1 - t161 * t425 * t457 *… in func_pol()
1547 … * t791 / 0.3e1 - 0.4e1 / 0.3e1 * t2399 - t989 * t264 * t457 * t312 / 0.3e1 + t999 * t425 * t457 *… in func_pol()
1559 …igma[11] = -t161 * t309 * t457 * t346 / 0.2e1 - 0.3e1 / 0.2e1 * t161 * t425 * t1066 * t129 - 0.3e1… in func_pol()
H A Dgga_c_wi.c54 double t451, t453, t457, t458, t459, t460, t461, t469; in func_unpol() local
307 t457 = 0.1e1 / t3 / t27; in func_unpol()
308 t458 = t457 * t12; in func_unpol()
360 … * t157 - 0.4e1 * t59 * t316 - t61 * t63 * (0.70e2 / 0.81e2 * t16 * t18 * t457 * t38 + 0.6860e4 / … in func_unpol()
370 …74 * t461 - 0.35e2 / 0.16e2 * t225 * t127 * t92 * t230 + 0.35e2 / 0.4e1 * t457 * t58 * t92 * t461 … in func_unpol()
372 …7 * t441 - 0.105e3 / 0.16e2 * t225 * t173 * t92 * t230 + 0.105e3 / 0.8e1 * t457 * t87 * t92 * t461; in func_unpol()
436 double t451, t453, t457, t458, t459, t460, t461, t469; in func_ferr() local
689 t457 = 0.1e1 / t3 / t27; in func_ferr()
690 t458 = t457 * t12; in func_ferr()
750 …76 * t461 - 0.35e2 / 0.16e2 * t225 * t127 * t92 * t230 + 0.35e2 / 0.4e1 * t457 * t58 * t92 * t461 … in func_ferr()
[all …]
H A Dgga_c_p86.c57 double t446, t451, t452, t454, t455, t456, t457, t459; in func_unpol() local
335 t457 = t49 * t57; in func_unpol()
336 t459 = 0.24780743359427343750e-6 * t456 * t457; in func_unpol()
845 double t445, t448, t451, t454, t457, t458, t459, t460; in func_pol() local
1311 …t457 = 0.10e2 / 0.9e1 * t445 * t139 + 0.10e2 / 0.3e1 * t448 * t299 + 0.10e2 / 0.9e1 * t451 * t141 … in func_pol()
1312 t458 = t96 * t457; in func_pol()
1619 t917 = t440 * t457 * t196; in func_pol()
1662 t1026 = t440 * t214 * t457; in func_pol()
1805 t1241 = t511 * t457; in func_pol()
2253 t2297 = t457 * t457; in func_pol()
[all …]
H A Dgga_c_lyp.c268 t458 = sigma[0] * t457; in func_unpol()
952 t458 = sigma[0] * t457; in func_pol()
986 t549 = t457 * t50; in func_pol()
1278 t1196 = t457 * t158; in func_pol()
1717 t2466 = t52 * t457; in func_pol()
1731 t2506 = t63 * t457 * t50; in func_pol()
1735 t2517 = t82 * t457 * t84; in func_pol()
2025 t3166 = t218 * t457; in func_pol()
2038 t3251 = t457 * t49; in func_pol()
2262 t4155 = t99 * t457; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn_3.c403 double t424, t425, t426, t431, t432, t457, t459, t462; in func_ferr() local
655 t457 = t4 * t425 * t15; in func_ferr()
754 double t457, t458, t460, t461, t462, t463, t464, t466; in func_pol() local
1292 t457 = t4 * t442; in func_pol()
1293 t458 = t457 / 0.9e1; in func_pol()
1829 t1371 = t1370 * t457; in func_pol()
1923 t1550 = t768 * t457; in func_pol()
2572 t3476 = 0.12112784639430467768e-3 * t760 * t1368 * t15 * t457; in func_pol()
2573 t3479 = 0.12112784639430467768e-3 * t1369 * t162 * t457; in func_pol()
2578 t3537 = 0.64601518076962494760e-3 * t1545 * t457; in func_pol()
[all …]
H A Dlda_c_hl.c359 double t449, t454, t457, t461, t462, t463, t469, t475; in func_pol() local
601 t457 = -t446; in func_pol()
602 …6 - 0.16e2 / 0.9e1 * t253 * t199 + 0.4e1 / 0.9e1 * t454 * t116 + 0.4e1 / 0.3e1 * t52 * t457) * t58; in func_pol()
669 …253 * t340 - 0.8e1 / 0.27e2 * t346 * t276 * t206 + 0.8e1 / 0.9e1 * t205 * t457 * t116 + 0.4e1 / 0.… in func_pol()
676 …t276 * t116 - 0.8e1 / 0.3e1 * t416 * t158 * t276 + 0.4e1 / 0.3e1 * t253 * t457 + 0.4e1 / 0.9e1 * t… in func_pol()
H A Dlda_c_pz.c353 double t429, t432, t442, t445, t455, t457, t463, t464; in func_pol() local
588 t457 = t69 * t455 * t84; in func_pol()
590 … 0.4e1 * t233 + t257 + t280 + t422 + t7 * (t351 + t385 + 0.2e1 * t387 + t390 + t425 + t428 + t457); in func_pol()
662 …v4rho4[1] = t519 + t520 + 0.9e1 * t387 + 0.6e1 * t390 + t418 + t495 + t678 + 0.3e1 * t457 + t7 * (… in func_pol()
670 …520 + 0.6e1 * t387 + 0.2e1 * t390 + 0.6e1 * t425 + 0.8e1 * t427 + 0.2e1 * t457 + 0.2e1 * t463 + 0.… in func_pol()
H A Dlda_x_1d_exponential.c260 double t438, t451, t453, t456, t457, t458, t459, t461; in func_pol() local
576 t457 = t194 * t456; in func_pol()
577 t458 = 0.4e1 * t457; in func_pol()
638 …e1 * t65 * t295 - 0.2e1 * t391 - 0.2e1 * t429 + 0.10e2 * t432 - t438 - 0.2e1 * t457 - 0.6e1 * t637; in func_pol()
H A Dlda_x_rel.c377 double t454, t457, t459; in func_pol() local
635 …t457 = -0.8e1 / 0.27e2 * t260 * t440 + 0.4e1 / 0.3e1 * t191 * t218 + 0.4e1 / 0.3e1 * t15 * t446 - … in func_pol()
636 t459 = t64 * t457 * t55; in func_pol()
725 t823 = t79 * t9 * t457 * t99; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_revtm.c496 t457 = t78 * t456; in func_unpol()
2776 t457 = t456 * t25; in func_ferr()
3831 t4408 = t457 * t29; in func_ferr()
5678 t1106 = t457 * t457; in func_pol()
5795 t1427 = t598 * t457; in func_pol()
5897 t1694 = t702 * t457; in func_pol()
6504 t3047 = t457 * t1163; in func_pol()
6508 t3054 = t1106 * t457; in func_pol()
6734 t3808 = t1485 * t457; in func_pol()
6913 t4406 = t1739 * t457; in func_pol()
[all …]
H A Dmgga_x_regtpss.c759 t457 = 0.1e1 / t199; in func_unpol()
760 t458 = t456 * t457; in func_unpol()
1236 t1523 = t457 * t379; in func_unpol()
1246 t1542 = t89 * t457; in func_unpol()
1512 t2204 = t457 * t460; in func_unpol()
2432 t4466 = t457 * t32; in func_unpol()
2468 t4592 = t457 * t71; in func_unpol()
2475 t4606 = t457 * t51; in func_unpol()
5009 t458 = t457 * t29; in func_ferr()
5019 t478 = t69 * t457; in func_ferr()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90220 t366,t381,t383,t385,t393,t399,t400,t418,t443,t452,t454,t455,t457,t460,& local
486 t457 = t281 * t93
798 * t457 + .CONVERT."0.407473920E9" * t461 + .CONVERT."0.4326626304E10" * t463
921 * t455 - .CONVERT."0.108006662400E12" * t457 - .CONVERT."0.10410382080E11" * t461 - &
1065 * t457 + .CONVERT."0.285646798080E12" * t461 + .CONVERT."0.3729777891840E13" &
1216 * t455 + .CONVERT."0.93745942617600E14" * t457 + .CONVERT."0.8387644608000E13" &
1387 * t455 + .CONVERT."0.3014497734393600E16" * t457 + .CONVERT."0.262614169440000E15" * t461 &
1557 * t455 - .CONVERT."0.102528938941228800E18" * t457 - .CONVERT."0.8736911066822400E16" &
1801 - .CONVERT."0.307866236659027200E18" * t455 + .CONVERT."0.3680661842361504000E19" * t457 &
2062 t3841 = .CONVERT."0.139157190308616480000E21" * t457 + .CONVERT."0.11456392759971667200E20" &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90220 t366,t381,t383,t385,t393,t399,t400,t418,t443,t452,t454,t455,t457,t460,& local
486 t457 = t281 * t93
798 * t457 + .CONVERT."0.407473920E9" * t461 + .CONVERT."0.4326626304E10" * t463
921 * t455 - .CONVERT."0.108006662400E12" * t457 - .CONVERT."0.10410382080E11" * t461 - &
1065 * t457 + .CONVERT."0.285646798080E12" * t461 + .CONVERT."0.3729777891840E13" &
1216 * t455 + .CONVERT."0.93745942617600E14" * t457 + .CONVERT."0.8387644608000E13" &
1387 * t455 + .CONVERT."0.3014497734393600E16" * t457 + .CONVERT."0.262614169440000E15" * t461 &
1557 * t455 - .CONVERT."0.102528938941228800E18" * t457 - .CONVERT."0.8736911066822400E16" &
1801 - .CONVERT."0.307866236659027200E18" * t455 + .CONVERT."0.3680661842361504000E19" * t457 &
2062 t3841 = .CONVERT."0.139157190308616480000E21" * t457 + .CONVERT."0.11456392759971667200E20" &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_pbe.F460 t457, t458, t459, t461, t462, t463, t465, t466, t469, t470 local
791 t457 = my_norm_drho*t456
799 srhorho = t457*t459 + t462 - t465 + t466
1107 srho1rho = t457*t198*kf2rho + t462/0.2e1_dp - t465 + t197* &
1135 … - t457*t115*t458 + 0.2e1_dp*t457*t463*kfrho - 0.2e1_dp* &
1136 … t457*t461*kf2rho - 0.2e1_dp*t197*t246*kfrho + 0.3e1_dp/ &
1137 … 0.2e1_dp*t197*t115*kfrhorho + t457*t463*kf2rho - t197*t6 &
1553 t432, t436, t439, t442, t444, t445, t45, t453, t456, t457, t46, t460, t466, t467, t468, & local
1916 t457 = t456*t325
1918 t110*t457
[all …]
H A Dxc_xbecke88_long_range.F287 t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 local
529 t457 = t128*t43*t404
531 t462 = -t455 + 0.8999999998e1_dp*t457 + 0.5999999999e1_dp*t460
684 t1009 = 0.2e1_dp*t101*(-t455 + 0.9000000000e1_dp*t457 + 0.6000000000e1_dp &
1062 t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 local
1302 t457 = t128*t43*t404
1304 t462 = -t455 + 0.8999999998e1_dp*t457 + 0.5999999999e1_dp*t460
1457 t1009 = 0.2e1_dp*t101*(-t455 + 0.9000000000e1_dp*t457 + 0.6000000000e1_dp &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_pbe.F460 t457, t458, t459, t461, t462, t463, t465, t466, t469, t470 local
791 t457 = my_norm_drho*t456
799 srhorho = t457*t459 + t462 - t465 + t466
1107 srho1rho = t457*t198*kf2rho + t462/0.2e1_dp - t465 + t197* &
1135 … - t457*t115*t458 + 0.2e1_dp*t457*t463*kfrho - 0.2e1_dp* &
1136 … t457*t461*kf2rho - 0.2e1_dp*t197*t246*kfrho + 0.3e1_dp/ &
1137 … 0.2e1_dp*t197*t115*kfrhorho + t457*t463*kf2rho - t197*t6 &
1553 t432, t436, t439, t442, t444, t445, t45, t453, t456, t457, t46, t460, t466, t467, t468, & local
1916 t457 = t456*t325
1918 t110*t457
[all …]
H A Dxc_xbecke88_long_range.F287 t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 local
529 t457 = t128*t43*t404
531 t462 = -t455 + 0.8999999998e1_dp*t457 + 0.5999999999e1_dp*t460
684 t1009 = 0.2e1_dp*t101*(-t455 + 0.9000000000e1_dp*t457 + 0.6000000000e1_dp &
1062 t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 local
1302 t457 = t128*t43*t404
1304 t462 = -t455 + 0.8999999998e1_dp*t457 + 0.5999999999e1_dp*t460
1457 t1009 = 0.2e1_dp*t101*(-t455 + 0.9000000000e1_dp*t457 + 0.6000000000e1_dp &

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