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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_mbeef.c1988 t1321 = t64 * t1320; in func_unpol()
2000 t1344 = t276 * t1320; in func_unpol()
2060 t1437 = t49 * t1320; in func_unpol()
2911 t5155 = t284 * t1320; in func_unpol()
2921 t5169 = t1320 * t300; in func_unpol()
3247 t6601 = t24 * t1320; in func_unpol()
3295 t6680 = t23 * t1320; in func_unpol()
3636 t7833 = t86 * t1320; in func_unpol()
3951 t9010 = t41 * t1320; in func_unpol()
6182 t18865 = t1320 * t1320; in func_unpol()
[all …]
H A Dmgga_c_b88.c2473 double t1304, t1305, t1312, t1320, t1321, t1322, t1323, t1331; in func_pol() local
4009 t1320 = t15 * t16 * sigma[2]; in func_pol()
4018 …24888888888888888889e-2 * t20 * t274 * t434 + 0.18666666666666666666e-2 * t1320 * t1323 - 0.933333… in func_pol()
5874 …t1320 * t4140 + 0.49777777777777777778e-2 * t20 * t274 * t1338 - 0.55999999999999999998e-2 * t1320… in func_pol()
6830 …-2 * t1320 * t5509 + 0.37333333333333333332e-2 * t1320 * t5513 + 0.24888888888888888889e-2 * t20 *… in func_pol()
7416 …55999999999999999998e-2 * t20 * t50 * t6236 + 0.55999999999999999998e-2 * t1320 * t6241 - 0.933333… in func_pol()
8025 …t1320 * t4139 * t2612 + 0.99555555555555555556e-2 * t20 * t274 * t2637 + 0.22399999999999999999e-1… in func_pol()
8677 …t1320 * t4146 * t1337 * t857 + 0.55999999999999999998e-2 * t1320 * t1321 * t4172 * t290 + 0.559999… in func_pol()
8678 …5555555555555e-1 * t1320 * t847 * t856 * t1322 - 0.29866666666666666666e-1 * t1320 * t4139 * t4151… in func_pol()
9341 …t1320 * t12763 * t5508 - 0.19911111111111111110e-1 * t1320 * t4139 * t5512 - 0.5599999999999999999… in func_pol()
[all …]
H A Dmgga_c_pkzb.c827 t1320 = t122 * t1221; in func_unpol()
5206 t1320 = t496 * t155; in func_pol()
5207 t1321 = t1320 * t465; in func_pol()
6169 t3384 = t3383 * t1320; in func_pol()
6241 t3498 = t3497 * t1320; in func_pol()
9368 t10615 = t10614 * t1320; in func_pol()
9375 t10630 = t10629 * t1320; in func_pol()
9570 t10942 = t10941 * t1320; in func_pol()
9577 t10957 = t10956 * t1320; in func_pol()
13663 t19152 = t7431 * t1320; in func_pol()
[all …]
H A Dmgga_c_tpss.c9269 t4261 = t368 * t1320; in func_pol()
13064 t14102 = t869 * t1320; in func_pol()
13674 t15874 = t1122 * t1320; in func_pol()
14873 t19082 = t1216 * t1320; in func_pol()
15007 t19509 = t1264 * t1320; in func_pol()
15976 t21968 = t1333 * t1320; in func_pol()
15993 t22030 = t1354 * t1320; in func_pol()
21651 t50311 = t2358 * t1320; in func_pol()
23374 t61840 = t3740 * t1320; in func_pol()
24843 t70796 = t3988 * t1320; in func_pol()
[all …]
H A Dmgga_xc_lp90.c713 double t1318, t1320, t1329, t1331, t1334, t1336, t1339, t1343; in func_pol() local
1871 t1320 = t93 * t81 * t542; in func_pol()
1878 …t1346 = -0.13946296296296296296e-3 * t1320 - 0.69731481481481481480e-3 * t245 * t531 + 0.139462962… in func_pol()
1899 …* t1314 - 0.27892592592592592594e-3 * t1316 - 0.27892592592592592593e-3 * t1320 - 0.20919444444444… in func_pol()
1912 …* t1418 - 0.41838888888888888891e-3 * t1316 - 0.41838888888888888890e-3 * t1320 - t1205 + t1232 - … in func_pol()
H A Dmgga_x_gx.c98 double t1320, t1324, t1326, t1327, t1330, t1332, t1334, t1335; in func_unpol() local
798 t1320 = t1263 * t501; in func_unpol()
808 …5e1 / 0.72e2 * t1316 - 0.10e2 / 0.9e1 * t1260 * t182 - 0.25e2 / 0.162e3 * t1320 + 0.50e2 / 0.81e2 … in func_unpol()
2361 double t1302, t1306, t1309, t1310, t1316, t1319, t1320, t1323; in func_pol() local
3363 t1320 = t464 * t1319; in func_pol()
3374 …500e3 / 0.81e2 * t455 * t449 * t169 + 0.2500e4 / 0.729e3 * t455 * t1316 * t1320 - 0.2500e4 / 0.729… in func_pol()
4250 t2980 = t455 * t2978 * t1320; in func_pol()
4358 t3068 = t455 * t3066 * t1320; in func_pol()
4502 t3171 = t455 * t3169 * t1320; in func_pol()
4615 …00e3 / 0.81e2 * t3264 * t46 * t1306 + 0.2500e4 / 0.729e3 * t455 * t3271 * t1320 - 0.2500e4 / 0.729… in func_pol()
[all …]
H A Dmgga_x_mvsb.c90 double t1286, t1293, t1298, t1304, t1316, t1317, t1320, t1325; in func_unpol() local
713 t1320 = t423 * t459; in func_unpol()
1211 double t1315, t1320, t1321, t1325, t1328, t1329, t1334, t1345; in func_ferr() local
1813 t1320 = t42 * t198; in func_ferr()
1814 t1321 = t1320 * tau[0]; in func_ferr()
1885 t1504 = t89 * t1320; in func_ferr()
1887 t1509 = t704 * t1320; in func_ferr()
2325 double t1311, t1314, t1318, t1320, t1322, t1325, t1327, t1329; in func_pol() local
3480 t1320 = t256 * t1126; in func_pol()
3481 t1322 = -t1318 / 0.4e1 + t1320 / 0.2e1; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_optx.c525 double t1312, t1320, t1326, t1337, t1341, t1342, t1345, t1347; in func_pol() local
1306 t1320 = params->b * t231 * t18; in func_pol()
1310 …480e6 / 0.27e2 * t588 * t589 / t24 / t1312 * t595 + 0.163840e6 / 0.27e2 * t1320 * t233 * t20 / t59… in func_pol()
1439 …239 + 0.61952e5 / 0.9e1 * t588 * t233 * t592 * t595 - 0.20480e5 / 0.9e1 * t1320 * t589 / t590 / t2… in func_pol()
1497 …365 + 0.61952e5 / 0.9e1 * t588 * t359 * t881 * t884 - 0.20480e5 / 0.9e1 * t1320 * t878 / t879 / t3… in func_pol()
1503 … * t20 - 0.6848e4 / 0.3e1 * t588 * t94 * t928 * t595 + 0.2560e4 / 0.3e1 * t1320 * t233 / t590 / t2… in func_pol()
1559 … t46 - 0.6848e4 / 0.3e1 * t588 * t137 * t1025 * t884 + 0.2560e4 / 0.3e1 * t1320 * t359 / t879 / t4… in func_pol()
1563 … t393 * t239 * sigma[0] + 0.704e3 * t588 * t20 * t1053 * t595 - 0.320e3 * t1320 * t94 / t1312 * t1… in func_pol()
1621 … t428 * t365 * sigma[2] + 0.704e3 * t588 * t46 * t1089 * t884 - 0.320e3 * t1320 * t137 / t2049 * t… in func_pol()
1624 …t232 * t445 * t239 - 0.192e3 * t588 * sigma[0] * t1106 * t595 + 0.120e3 * t1320 * t20 / t590 * t13… in func_pol()
[all …]
H A Dgga_x_lspbe.c593 double t1307, t1308, t1309, t1314, t1316, t1318, t1320, t1322; in func_pol() local
1388 t1320 = t7 * t1318 * t263; in func_pol()
1389 …t1303 - 0.5e1 / 0.27e2 * t7 * t1308 * t72 * t1309 + 0.4e1 / 0.27e2 * t1316 + 0.2e1 / 0.9e1 * t1320; in func_pol()
1435 …t1531 = t1295 / 0.9e1 - 0.5e1 / 0.9e1 * t1303 + t1316 / 0.27e2 + t1320 / 0.9e1 - 0.5e1 / 0.9e1 * t… in func_pol()
1471 …t1753 = -0.10e2 / 0.27e2 * t1303 + t1320 / 0.27e2 - 0.10e2 / 0.27e2 * t1329 + 0.2e1 / 0.9e1 * t133… in func_pol()
H A Dgga_x_pbetrans.c1299 double t1287, t1288, t1295, t1308, t1309, t1310, t1311, t1320; in func_pol() local
2085 t1320 = t472 * t73; in func_pol()
2086 t1321 = t1320 * t499; in func_pol()
2218 t1685 = t1320 * t649; in func_pol()
2689 …77777777778e1 * t497 * t1320 * t1332 - 0.14684444444444444445e1 * t1327 * t1328 * t1332 - 0.128488… in func_pol()
2827 …0000000000000e0 * t644 * t645 * t3499 - 0.64244444444444444446e0 * t497 * t1320 * t1675 + 0.171318… in func_pol()
2834 …0000000000001e1 * t497 * t498 * t4403 + 0.12848888888888888889e1 * t497 * t1320 * t1689 - 0.550666… in func_pol()
2932 …4814814814814815e0 * t497 * t1320 * t2023 - 0.21414814814814814815e0 * t644 * t1685 + 0.4282962962… in func_pol()
H A Dgga_x_g96.c439 double t1286, t1291, t1296, t1301, t1302, t1313, t1320, t1322; in func_pol() local
1340 t1320 = t7 * t569 * t31; in func_pol()
1347 …54 + 0.8e1 / 0.1233e4 * t1068 + 0.8e1 / 0.411e3 * t1070 + 0.5e1 / 0.2e1 * t1320 - 0.56e2 / 0.1233e… in func_pol()
1392 …t1587 = -t1320 / 0.3e1 - 0.112e3 / 0.3699e4 * t1322 - 0.64e2 / 0.3699e4 * t1330 + 0.32e2 / 0.1233e… in func_pol()
H A Dgga_xc_th1.c517 double t1316, t1317, t1319, t1320, t1321, t1322, t1324, t1325; in func_pol() local
1208 t1320 = t485 * t169; in func_pol()
1209 t1321 = t1319 * t1320; in func_pol()
1234 t1416 = t1415 * t1320; in func_pol()
1892 t3716 = t88 * t3365 * t297 * t1320; in func_pol()
1933 …t33 * t536 * t246 * t164 + t3895 + 0.40e2 / 0.81e2 * t45 * t3422 * t297 * t1320 - 0.4e1 / 0.3e1 * … in func_pol()
2177 t5327 = t5326 * t1320; in func_pol()
2185 t5416 = t5415 * t1320; in func_pol()
H A Dgga_c_op_pbe.c509 t1320 = t179 * t12; in func_unpol()
510 t1321 = t1320 * t933; in func_unpol()
1799 t1320 = t136 * t136; in func_pol()
1800 t1322 = 0.1e1 / t43 / t1320; in func_pol()
1802 t1329 = t1320 * t195; in func_pol()
2199 t2312 = t1320 * t42; in func_pol()
2586 t3215 = t1320 * rho[1]; in func_pol()
2795 t3672 = 0.1e1 / t39 / t1320; in func_pol()
3085 t5117 = t1320 * t136; in func_pol()
3787 t8603 = 0.1e1 / t1320 / t615; in func_pol()
[all …]
H A Dgga_x_fd_lb94.c648 double t1302, t1304, t1319, t1320, t1322, t1338, t1339, t1340; in func_pol() local
1479 t1320 = t1319 * t19; in func_pol()
1484 …18 + t606 * t28 * (0.7e1 / 0.27e2 * t220 * t219 * t199 - 0.32e2 / 0.3e1 * t1320 * t1322 * t1122 / … in func_pol()
1786 …87 * t1147 / 0.3e1 + t606 * t28 * (-t220 * t1136 * t86 / 0.18e2 + 0.4e1 * t1320 * t1322 / t25 / t1… in func_pol()
H A Dgga_x_bpccac.c1399 double t1316, t1320, t1323, t1326, t1330, t1332, t1334, t1335; in func_pol() local
2221 t1320 = t7 * t546 * t299; in func_pol()
2254 …t1381 = t1320 / 0.12e2 + t1323 / 0.2e1 - t1326 / 0.2e1 - t1299 / 0.8e1 + t1296 / 0.6e1 - t1332 / 0… in func_pol()
2294 …t1466 = -t1422 / 0.8e1 + t1320 / 0.6e1 + t1296 / 0.12e2 - t1356 - t1371 + t1428 / 0.9e1 - t1432 / … in func_pol()
2396 t1701 = t1320 / 0.4e1; in func_pol()
2921 …t3525 = t9 * (t3369 + t3417 + t3452 + t3511) - t1422 / 0.4e1 + t1320 / 0.2e1 + t1323 - t1326 - t12… in func_pol()
2928 …t3568 = -t1686 - 0.3e1 / 0.4e1 * t1422 + 0.3e1 / 0.4e1 * t1320 + t1297 - t3294 - t3296 + t1428 / 0… in func_pol()
2996 …- 0.2e1 * t1689 - 0.6e1 * t1693 - 0.2e1 * t1698 - 0.3e1 / 0.2e1 * t1422 + t1320 + 0.4e1 / 0.3e1 * … in func_pol()
H A Dgga_c_chachiyo.c765 double t1315, t1317, t1320, t1322, t1323, t1325, t1334, t1336; in func_pol() local
1549 t1320 = t253 * t250; in func_pol()
1550 …73 + 0.3e1 * t1197 + 0.6e1 * t1199 + 0.3e1 * t1213 + 0.3e1 * t1315 + 0.3e1 * t1317 + 0.3e1 * t1320; in func_pol()
1615 …4e1 * t1325 * t537 * t293 + 0.2e1 * t103 * t709 + 0.2e1 * t1317 + 0.2e1 * t1320 + 0.4e1 * t1323 + … in func_pol()
H A Dgga_k_mpbe.c742 double t1305, t1307, t1314, t1318, t1319, t1320, t1323, t1336; in func_pol() local
1464 t1320 = t1319 * t89; in func_pol()
1471 …t85 - 0.65e2 / 0.648e3 * t138 * t1314 * t610 + 0.17e2 / 0.432e3 * t1318 * t1320 - t356 * t1323 * t… in func_pol()
1847 ….324e3 * t138 * t1096 * t96 * t610 - 0.1025e4 / 0.1944e4 * t356 * t1101 * t1320 + 0.89e2 / 0.3888e… in func_pol()
H A Dgga_x_dk87.c760 double t1306, t1307, t1308, t1312, t1314, t1319, t1320, t1323; in func_pol() local
1539 t1320 = t223 * t1319; in func_pol()
1541 … t1242 - t200 * t1259 / 0.6e1 - t200 * t1263 - t200 * t1266 / 0.2e1 - 0.3e1 / 0.8e1 * t200 * t1320; in func_pol()
1919 t2900 = t1212 * t1320; in func_pol()
H A Dgga_x_pbeint.c744 double t1292, t1294, t1297, t1302, t1306, t1312, t1316, t1320; in func_pol() local
1570 t1320 = t536 * t581 * t166; in func_pol()
1587 …1 * t1286 - t1294 - t211 * t1312 / 0.6e1 + 0.2e1 * t1288 * t1316 - t211 * t1320 - t211 * t1323 / 0… in func_pol()
2001 t3252 = t1249 * t1320; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn_rpa.c780 double t1255, t1282, t1303, t1307, t1320, t1330, t1333, t1345; in func_pol() local
1305 t1320 = t1091 * t2; in func_pol()
1307 …82697e-2 * t626 * t630 * t82 + 0.17063598140896581082e-1 * t502 * t1158 * t1320 * t507 + 0.2461874… in func_pol()
1344 …76 / t64 * t52 * t95 * t1330 + 0.13427036575676637972e-1 * t847 * t1158 * t1320 * t849 + 0.1852298… in func_pol()
H A Dlda_c_pk09.c838 t1320 = t262 * t9; in func_unpol()
839 t1321 = t389 * t1320; in func_unpol()
1198 t3064 = t1020 * t1320; in func_unpol()
2065 t1320 = t394 * t394; in func_ferr()
2067 t1323 = t1320 / t1321; in func_ferr()
3584 t1320 = t1319 * t1111; in func_pol()
3585 t1322 = 0.18635258017632964667e2 * t1320 * t1246; in func_pol()
5067 t5095 = 0.12423505345088643111e2 * t1320 * t5093; in func_pol()
5178 t5426 = 0.18635258017632964667e2 * t1320 * t4954; in func_pol()
5388 t6096 = t1320 * t5114; in func_pol()
[all …]
H A Dlda_xc_bn05.c822 double t1312, t1320, t1321, t1326, t1328, t1329, t1332, t1336; in func_pol() local
1786 …t1320 = -t727 + t729 / 0.27e2 + t1312 / 0.27e2 - 0.2e1 / 0.27e2 * t202 * t731 * t1288 - 0.2e1 / 0.… in func_pol()
1787 t1321 = t84 * t1320; in func_pol()
2520 …4e1 / 0.81e2 * t3032 - t3036 + t23 * t74 * t3158 / 0.9e1 + 0.4e1 * t299 * t1320 + 0.2e1 * t776 * t… in func_pol()
2775 …- t3205 - 0.4e1 / 0.243e3 * t2275 + 0.2e1 * t1358 * t484 + 0.2e1 * t495 * t1320 + 0.2e1 * t299 * t… in func_pol()
3538 … * t6871 - 0.4e1 / 0.81e2 * t5920 + 0.6e1 * t778 * t1320 + 0.2e1 * t2284 * t484 + 0.6e1 * t776 * t… in func_pol()
3862 …2 * t6852 + 0.4e1 * t299 * t3773 + 0.2e1 * t3068 * t484 + 0.4e1 * t1358 * t1320 + 0.2e1 * t778 * t… in func_pol()
4192 ….2e1 * t1484 * t1320 + 0.2e1 * t299 * t4420 + 0.4e1 * t1358 * t1457 + 0.4e1 * t495 * t3773 + 0.2e1… in func_pol()
H A Dlda_c_vwn_4.c807 double t1318, t1320, t1321, t1324, t1325, t1326, t1327, t1328; in func_pol() local
1602 t1320 = t1315 * t932 * t1318; in func_pol()
1603 t1321 = 0.50631328524251801694e2 * t1320; in func_pol()
2076 t2919 = 0.20252531409700720677e3 * t1320; in func_pol()
H A Dlda_c_vwn.c807 double t1320, t1321, t1322, t1324, t1325, t1327, t1328, t1331; in func_pol() local
1601 t1320 = 0.1e1 / t1319; in func_pol()
1602 t1321 = t1320 * t127; in func_pol()
1940 t2205 = 0.10126265704850360339e3 * t1320 * t2 * t215 * t1324 * t371; in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F289 t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & local
1030 t1320 = t68*t379
1036 - 0.1000000000e1_dp*t405*t1320*t17 - 0.1500000000e1_dp*t151*t50 &
1623 *t1309*t804 + 0.4500000000e1_dp*t400*t1320*t833 - 0.1500000000e1_dp &
1931 t1320*t1483
3068 t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, t133, & local
3806 t1320 = t68*t379
3812 - 0.1000000000e1_dp*t405*t1320*t17 - 0.1500000000e1_dp*t151*t50 &
4399 *t1309*t804 + 0.4500000000e1_dp*t400*t1320*t833 - 0.1500000000e1_dp &
4707 t1320*t1483

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