| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_c09x.c | 548 double t985, t986, t988, t989, t990, t991, t995, t998; in func_pol() local
1177 t989 = t160 * t988; in func_pol()
1185 …v3rho2sigma[3] = -0.2e1 / 0.3e1 * t922 - t926 - t928 / 0.2e1 - 0.2e1 / 0.3e1 * t986 - t989 * t991 … in func_pol()
1197 …v3rho2sigma[5] = -0.2e1 / 0.3e1 * t969 - t973 - 0.2e1 / 0.3e1 * t1005 - t989 * t1008 / 0.6e1 + t99… in func_pol()
1508 …3e1 * t2261 - 0.2e1 * t2264 + t2268 + t161 * t710 * t194 * t521 / 0.9e1 - t989 * t1007 * t530 / 0.… in func_pol()
1520 …t989 * t202 * t419 * t289 / 0.3e1 - t989 * t990 * t682 / 0.6e1 - t999 * t396 * t419 * t8 - 0.2e1 /… in func_pol()
1532 …1 / 0.9e1 * t2327 - t2330 - t2331 / 0.6e1 + t989 * t2333 * t712 / 0.9e1 + t2320 * t1007 * t691 / 0… in func_pol()
1537 …9e1 * t2362 + t989 * t2316 * t803 / 0.9e1 - t161 * t286 * t419 * t335 / 0.6e1 - t2320 * t990 * t80… in func_pol()
1547 …t989 * t2333 * t787 / 0.9e1 + t2320 * t1007 * t791 / 0.3e1 - 0.4e1 / 0.3e1 * t2399 - t989 * t264 *… in func_pol()
1550 …3e1 * t2362 - 0.2e1 * t2374 + t2256 + t161 * t695 * t176 * t900 / 0.9e1 - t989 * t990 * t905 / 0.2… in func_pol()
[all …]
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| H A D | gga_c_pw91.c | 3234 t990 = t989 * t828; in func_pol()
3387 t1273 = t989 * t1172; in func_pol()
3391 t1286 = t989 * t1233; in func_pol()
3494 t1512 = t989 * t1441; in func_pol()
4084 t2534 = t989 * t2082; in func_pol()
4090 t2552 = t989 * t2065; in func_pol()
4094 t2561 = t989 * t2051; in func_pol()
4095 t2564 = t989 * t2055; in func_pol()
4518 t3387 = t989 * t3266; in func_pol()
4521 t3399 = t989 * t3294; in func_pol()
[all …]
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| H A D | gga_k_pw86.c | 537 double t989, t990, t991, t995, t998, t1000, t1001, t1002; in func_pol() local
1190 t989 = t178 * t988; in func_pol()
1203 …v3rho2sigma[5] = t945 / 0.18e2 + t949 + t986 / 0.18e2 + t989 * t991 / 0.45e2 - t980 * t995 / 0.30e… in func_pol()
1557 … / 0.9e1 + t2449 / 0.6e1 - t2453 - t179 * t2454 * t199 * t573 / 0.135e3 + t989 * t990 * t481 / 0.1… in func_pol()
1586 …t989 * t990 * t643 / 0.45e2 - 0.2e1 / 0.45e2 * t2560 * t990 * t647 - 0.14e2 / 0.675e3 * t2564 - t2… in func_pol()
1602 …t2650 = -0.28e2 / 0.675e3 * t989 * t1002 * t338 * t128 + t2623 / 0.27e2 + t2625 / 0.9e1 + t2627 / … in func_pol()
1607 …t2685 = t2446 / 0.27e2 + 0.2e1 / 0.45e2 * t989 * t153 * t427 * t301 + t989 * t990 * t789 / 0.45e2 … in func_pol()
1620 … t2553 / 0.9e1 - 0.14e2 / 0.225e3 * t2564 - 0.14e2 / 0.225e3 * t989 * t1002 * t815 + t989 * t990 *… in func_pol()
1687 …t989 * t348 * t443 * t301 + 0.7e1 / 0.225e3 * t980 * t1098 * t443 * t7 + 0.203e3 / 0.3375e4 * t295… in func_pol()
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| H A D | gga_k_pearson.c | 534 double t978, t983, t984, t987, t989, t990, t995, t996; in func_pol() local
1163 t989 = t14 * t441; in func_pol()
1164 t990 = t989 * t82; in func_pol()
1191 t1016 = t989 * t126; in func_pol()
1515 …t2319 + t2321 + t368 * t2322 * t195 / 0.3e1 + t368 * t2326 * t82 + t368 * t989 * t209 / 0.2e1 + 0.… in func_pol()
1537 …6e1 * t2366 + t368 * t2322 * t273 / 0.3e1 + t368 * t2326 * t126 / 0.2e1 + t928 * t989 * t7 / 0.2e1; in func_pol()
1558 …v4rho2sigma2[12] = t2318 + 0.5e1 / 0.3e1 * t2366 + t368 * t2322 * t313 / 0.3e1 + t368 * t989 * t31… in func_pol()
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| H A D | gga_x_hjs.c | 80 double t986, t989, t994, t997, t1007, t1008, t1011, t1014; in func_unpol() local
714 t989 = t371 * t202; in func_unpol()
2274 double t981, t984, t986, t989, t993, t994, t997, t1004; in func_ferr() local
2904 t989 = t262 * t963; in func_ferr()
3335 t2470 = t989 * t187; in func_ferr()
3542 …t989 * t3209 / 0.2e1 + t989 * t3213 + t986 * t1593 / 0.4e1 - t989 * t3217 / 0.2e1 - 0.3e1 / 0.8e1 … in func_ferr()
3992 t6016 = t989 * t228; in func_ferr()
4119 t7578 = t989 * t3207; in func_ferr()
6411 t989 = t163 * t988; in func_pol()
9282 t8710 = t989 * t5826; in func_pol()
[all …]
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| H A D | gga_x_herman.c | 347 double t989, t992, t998, t1005, t1011, t1016, t1018, t1020; in func_pol() local
1042 t989 = t199 * t987 * t445; in func_pol()
1048 … 0.2e1 - t981 / 0.6e1 - t426 * t444 * t8 * t156 / 0.3e1 - 0.7e1 / 0.6e1 * t989 - 0.5e1 / 0.27e2 * … in func_pol()
1087 …1005 * t200 * t233 * t156 - t974 / 0.9e1 - t981 / 0.9e1 + 0.2e1 / 0.9e1 * t989 + 0.2e1 / 0.27e2 * … in func_pol()
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| H A D | gga_k_ol1.c | 390 double t975, t978, t981, t989, t992, t994, t995, t999; in func_pol() local
1074 t989 = 0.1e1 / t16 / t363; in func_pol()
1075 t992 = t101 * t989 * t67 * t7; in func_pol()
1078 t999 = t73 * t989 * t40 * t7; in func_pol()
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| H A D | gga_c_op_xalpha.c | 342 double t975, t977, t980, t981, t989, t994, t998, t999; in func_pol() local
947 t989 = t58 * t294; in func_pol()
949 …555555555e0 * t536 * t537 * t377 + 0.86733323555555555556e0 * t55 * t56 * t989 * t296 - 0.17346664… in func_pol()
1126 …3330888888888889e0 * t196 * t692 + 0.21683330888888888889e0 * t55 * t56 * t989 * t725 - 0.32123453… in func_pol()
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| H A D | gga_x_rge2.c | 541 double t973, t974, t975, t978, t982, t985, t986, t989; in func_pol() local
1232 t989 = t215 * t1; in func_pol()
1233 t990 = t989 * t376; in func_pol()
1635 t2559 = t989 * t3; in func_pol()
1739 …648292096e-3 * t1088 * t1089 * t2884 * t128 - 0.21274704059340547680e-4 * t989 * t1087 * t1089 * t… in func_pol()
1764 …600e-5 * t2754 * t1116 * t34 * t3056 * t116 + 0.21274704059340547680e-4 * t989 * t1114 * t1116 * t… in func_pol()
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| H A D | gga_x_bpccac.c | 76 double t985, t988, t989, t992, t997, t999, t1001, t1002; in func_unpol() local
521 t989 = t27 * t988; in func_unpol()
523 …t997 = 0.61390624999999999998e-2 * t985 * t70 - 0.23928837812499999999e-1 * t989 * t184 - 0.403941… in func_unpol()
1378 double t980, t982, t985, t986, t989, t991, t994, t998; in func_pol() local
2062 t989 = t245 * t979; in func_pol()
2079 …t1041 = -t980 * t982 / 0.2e1 + t986 * t352 / 0.4e1 + t989 * t991 / 0.4e1 - 0.13770256559632944377e… in func_pol()
2637 ….2e1 * t2314 * t845 * t1646 * t109 - 0.2e1 * t2319 * t845 * t632 * t109 - t989 * t2324 / 0.3e1 + t… in func_pol()
2751 …0327692419724708283e-1 * t986 * t994 * t653 + 0.10327692419724708283e-1 * t989 * t124 * t653 + 0.3… in func_pol()
3288 …1 - 0.4e1 * t5301 * t856 + 0.2e1 * t2349 * t865 - 0.6e1 * t4656 * t2342 - t989 * t270 * t95 * t109… in func_pol()
3289 …16205247706355502e0 * t2319 * t2368 * t1533 - 0.27540513119265888754e-1 * t989 * t270 * t653 + 0.1… in func_pol()
[all …]
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| H A D | gga_x_pbetrans.c | 700 double t962, t972, t982, t983, t984, t987, t988, t989; in func_ferr() local
1060 t989 = t988 * t79; in func_ferr()
1065 ….11747555555555555556e2 * t982 * t984 - 0.11747555555555555556e2 * t987 * t989 + 0.195792592592592… in func_ferr()
1138 …066666666666666667e0 * t1574 * t1570 - 0.82600000000000000002e0 * t1577 * t989 + 0.214148148148148… in func_ferr()
1161 …5487500000000000000e0 * t1787 * t984 + 0.15487500000000000000e0 * t1790 * t989 + 0.123900000000000… in func_ferr()
1281 double t989, t991, t992, t993, t995, t996, t997, t1002; in func_pol() local
1925 t989 = t148 * t372; in func_pol()
1926 t991 = t407 * t408 * t989; in func_pol()
2529 t2636 = t407 * t1028 * t989; in func_pol()
2567 ….2e1 - t1023 * t1044 * t8 * t363 / 0.3e1 - t2790 / 0.6e1 - t407 * t1113 * t989 / 0.2e1 - 0.7e1 / 0… in func_pol()
[all …]
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| H A D | gga_x_pw91.c | 967 double t986, t989, t991, t993, t996, t997, t999, t1001; in func_pol() local
1637 t989 = t7 * t450 * t254; in func_pol()
1667 …t1042 = -t983 / 0.2e1 + t986 / 0.2e1 + t989 / 0.12e2 - t993 / 0.2e1 - 0.7e1 / 0.6e1 * t999 - t1003… in func_pol()
1709 …t1135 = -t1089 / 0.8e1 + t989 / 0.6e1 - t1096 / 0.2e1 - t1100 / 0.2e1 - t1104 / 0.6e1 - t1108 / 0.… in func_pol()
1745 t1205 = t989 / 0.4e1; in func_pol()
2168 …t2312 = -t1089 / 0.4e1 - t983 + t986 + t989 / 0.2e1 - t1096 - t1100 - t1104 / 0.3e1 - t1108 - t111… in func_pol()
2201 …t2560 = -t1314 - 0.3e1 / 0.4e1 * t1089 + 0.3e1 / 0.4e1 * t989 - t1212 - t1216 - t1220 - t1224 - t1… in func_pol()
2252 …t2957 = -t1818 - t1821 + t989 - 0.3e1 / 0.2e1 * t1089 - 0.2e1 * t1211 - 0.2e1 * t1215 - 0.6e1 * t1… in func_pol()
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| H A D | gga_x_pw86.c | 591 double t977, t979, t980, t981, t985, t989, t991, t994; in func_pol() local
1279 t989 = t7 * t107 * t207 / 0.90e2; in func_pol()
1295 …v3rho2sigma[0] = -0.4e1 / 0.45e2 * t985 - t989 + 0.14e2 / 0.225e3 * t991 - t994 / 0.15e2 - t430 * … in func_pol()
1320 …v3rho2sigma[3] = -0.2e1 / 0.45e2 * t985 - t989 + 0.7e1 / 0.225e3 * t991 - t994 / 0.30e2 - 0.2e1 / … in func_pol()
1343 v3rho2sigma[6] = -0.4e1 / 0.45e2 * t1061 - t989 - t430 * t1108 / 0.90e2 - t430 * t1112 / 0.30e2; in func_pol()
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| H A D | gga_x_airy.c | 1097 double t976, t978, t980, t981, t983, t986, t989, t993; in func_pol() local
1791 t989 = t7 * t372 * t195; in func_pol()
1792 …t966 - t970 / 0.3e1 + t976 / 0.9e1 - t981 - t983 / 0.2e1 + t986 / 0.2e1 + t989 / 0.12e2 - t888 - t… in func_pol()
1834 …6 / 0.3e1 - t1070 / 0.6e1 - t1074 / 0.3e1 - t966 - t981 - t1077 / 0.8e1 + t989 / 0.6e1 - t888 - t9… in func_pol()
1936 t1286 = t989 / 0.4e1; in func_pol()
2341 …2e1 / 0.9e1 * t976 - 0.4e1 / 0.9e1 * t980 - t1077 / 0.4e1 - t983 + t986 + t989 / 0.2e1 - t2284 - t… in func_pol()
2389 … t2845 + t2893 + t2922) - t1285 - 0.3e1 / 0.4e1 * t1077 + 0.3e1 / 0.4e1 * t989 - t2284 - t2287 + t… in func_pol()
2449 …t3232 = -0.3e1 / 0.2e1 * t1284 - t2284 - t2287 + t989 + 0.4e1 / 0.3e1 * t1016 + 0.4e1 / 0.3e1 * t1… in func_pol()
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| H A D | gga_k_apbe.c | 469 double t978, t979, t980, t981, t984, t988, t989, t992; in func_pol() local
1273 t989 = t988 * t830; in func_pol()
1275 v3sigma3[0] = t826 * t989 / 0.1280e4; in func_pol()
1704 t2675 = t461 * t989; in func_pol()
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| H A D | gga_x_lsrpbe.c | 580 double t982, t983, t984, t986, t987, t988, t989, t993; in func_pol() local
1213 t989 = t988 * t275; in func_pol()
1219 ….2e1 / 0.3e1 * t918 - t922 - t924 / 0.2e1 - 0.2e1 / 0.3e1 * t984 - t987 * t989 / 0.6e1 - t153 * t9… in func_pol()
1559 t2320 = 0.4e1 / 0.9e1 * t2318 * t989; in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_pbe.F | 993 t989 = t982 + t984 + 0.2e1_dp*t179*A2rho + 0.4e1_dp*t183*t2rho
994 t990 = t369*t989
1040 t1097 = t1rho*t989
1041 t1103 = trho*t989
1049 *t990 + t175*t409*t432*t989
1052 t1122 = t186*t989
1057 - t175*t1126*t989 + 0.4e1_dp*t980*t1129*t1042 + 0.2e1_dp* &
1083 *t162*t178*trhorho*t989 - t175*t1055*t177*t186 - &
1087 t175*t178*t989
1091 *t377*t2rho + t78*t83*t1035*t91 - t175*t397*t989 - &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_pbe.F | 993 t989 = t982 + t984 + 0.2e1_dp*t179*A2rho + 0.4e1_dp*t183*t2rho
994 t990 = t369*t989
1040 t1097 = t1rho*t989
1041 t1103 = trho*t989
1049 *t990 + t175*t409*t432*t989
1052 t1122 = t186*t989
1057 - t175*t1126*t989 + 0.4e1_dp*t980*t1129*t1042 + 0.2e1_dp* &
1083 *t162*t178*trhorho*t989 - t175*t1055*t177*t186 - &
1087 t175*t178*t989
1091 *t377*t2rho + t78*t83*t1035*t91 - t175*t397*t989 - &
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_msb.c | 81 double t989, t990, t991, t1021, t1024, t1034, t1035, t1036; in func_unpol() local
647 t989 = t697 * t68; in func_unpol()
1068 … t2564 * t991 + 0.36e2 * t989 * t391 * t104 * t127 + 0.18e2 * t989 * t990 * t307 - 0.18e2 * t1465 … in func_unpol()
1123 …t989 * t468 * t104 * t127 + 0.36e2 * t2556 * t186 * t224 * t127 + 0.18e2 * t989 * t186 * t260 * t1… in func_unpol()
1212 …t3959 = 0.12e2 * t989 * t3914 * t127 + 0.12e2 * t989 * t3918 * t127 + 0.6e1 * t989 * t1454 * t307 … in func_unpol()
1250 … * t3068 * t435 + 0.24e2 * t989 * t4346 * t127 + 0.24e2 * t989 * t4361 * t127 - 0.36e2 * t2640 * t… in func_unpol()
1335 …t989 * t5352 * t104 + 0.12e2 * t989 * t5366 * t104 - 0.6e1 * t1465 * t5352 * t127 - 0.12e2 * t1465… in func_unpol()
1342 …t989 * t5473 * t127 - 0.6e1 * t228 * t1392 * t186 - 0.6e1 * t228 * t1395 * t186 + 0.12e2 * t223 * … in func_unpol()
1367 … + 0.18e2 * t989 * t5643 * t104 - 0.18e2 * t1465 * t5643 * t127 + 0.18e2 * t989 * t5639 * t127 + 0… in func_unpol()
1423 …t989 * t1529 * t505 - 0.24e2 * t1034 * t1454 * t528 + 0.3e1 * t478 * t172 * t1100 * t51 + 0.24e2 *… in func_unpol()
[all …]
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| H A D | mgga_x_ms.c | 84 double t982, t984, t986, t989, t990, t992, t994, t995; in func_unpol() local
673 t989 = t136 * t137 * t328; in func_unpol()
674 t990 = t213 * t989; in func_unpol()
3652 t990 = t124 * t989; in func_pol()
4540 t2651 = t264 * t989; in func_pol()
4954 t3292 = t317 * t989; in func_pol()
4963 t3308 = t87 * t989; in func_pol()
5087 t3411 = t97 * t989; in func_pol()
6367 t9378 = t989 * t100; in func_pol()
6976 t11199 = t47 * t989; in func_pol()
[all …]
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| H A D | mgga_x_gx.c | 1803 t989 = t988 * t907; in func_ferr()
3131 t990 = t989 * t441; in func_pol()
3132 t992 = t989 * t446; in func_pol()
3137 t1006 = t480 * t989; in func_pol()
3140 t1010 = t495 * t989; in func_pol()
3143 t1016 = t506 * t989; in func_pol()
3899 t2511 = t1347 * t989; in func_pol()
3916 t2541 = t1388 * t989; in func_pol()
4254 t2991 = t1960 * t989; in func_pol()
4261 t3005 = t1948 * t989; in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_rc04.c | 301 double t924, t930, t939, t960, t982, t986, t989, t992; in func_pol() local
684 …t989 = -0.35053550210900017280e1 * t662 - 0.8e1 / 0.9e1 * t722 + 0.8e1 * t803 + 0.4e1 * t805 + 0.8… in func_pol()
689 v4rho4[3] = t924 + t930 + t989 + t1002; in func_pol()
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| H A D | lda_c_ml1.c | 1158 t989 = t35 * t856; in func_pol()
1159 t990 = t148 * t989; in func_pol()
1972 t3124 = t391 * t989; in func_pol()
2101 t3594 = t739 * t989; in func_pol()
3431 t9056 = t2261 * t989 * t277; in func_pol()
3785 t10876 = t148 * t989 * t85; in func_pol()
3786 t10882 = t419 * t989 * t68; in func_pol()
3896 t11684 = t2257 * t989 * t647; in func_pol()
3897 t11687 = t2261 * t989 * t651; in func_pol()
3898 t11690 = t2261 * t989 * t655; in func_pol()
[all …]
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| H A D | lda_xc_bn05.c | 805 double t980, t982, t984, t985, t986, t987, t988, t989; in func_pol() local
1653 t989 = 0.1e1 / t988; in func_pol()
1654 t990 = t987 * t989; in func_pol()
1678 t1045 = t938 * t989; in func_pol()
1948 t1746 = t980 * t989; in func_pol()
1980 t1816 = t1807 * t989; in func_pol()
2008 t1887 = t1814 * t1807 * t989; in func_pol()
2034 t1932 = t989 * t395; in func_pol()
3219 t5458 = 0.51947577317044391277e2 * t410 * t986 * t5450 * t989; in func_pol()
3241 t5497 = 0.62337092780453269530e3 * t410 * t1805 * t5389 * t989; in func_pol()
[all …]
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| H A D | lda_c_pw.c | 545 double t979, t982, t983, t985, t987, t988, t989, t993; in func_pol() local
1205 t989 = t937 * t985 * t988; in func_pol()
1210 … * t440 * t941 - t848 + t855 - 0.3e1 * t946 * t948 + t225 * t979 + t983 * t989 / 0.2e1 + 0.6e1 * t… in func_pol()
1480 … * t482 * t630 * t993 - t482 * t483 * t979 / 0.3e1 - t433 * t143 * t982 * t989 / 0.6e1 - t1424 - 0… in func_pol()
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