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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_vwn.F1866 t937 = t17**(-0.2666666666e1_dp)
1873 *t440*t884 + 0.4206297667e-1_dp*t24*t937*t865 - 0.4854179269e0_dp &
1897 t937*t986 + 0.4854179267e0_dp*t195*t906*t986 - 0.1682519066e0_dp &
1914 t937*t986 + 0.9708358534e0_dp*t174*t906*t986 - 0.3365038132e0_dp &
1968 + 0.9531842928e0_dp*t667*t1160 + 0.4206297667e-1_dp*t97*t937*t865 &
1980 *t687*t937*t1211 + 0.4854179267e0_dp*t297*t906*t1211 - &
1981 0.1682519066e0_dp*t696*t937*t1221 + 0.1906368585e1_dp*t298*t1235 &
2028 + 0.9531842928e0_dp*t553*t1383 + 0.4206297667e-1_dp*t61*t937*t865 &
2052 *t582*t937*t1493 + 0.1906368585e1_dp*t246*t1507 &
2067 *t529*t937*t1483 + 0.9708358534e0_dp*t226*t906*t1483 &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_vwn.F1866 t937 = t17**(-0.2666666666e1_dp)
1873 *t440*t884 + 0.4206297667e-1_dp*t24*t937*t865 - 0.4854179269e0_dp &
1897 t937*t986 + 0.4854179267e0_dp*t195*t906*t986 - 0.1682519066e0_dp &
1914 t937*t986 + 0.9708358534e0_dp*t174*t906*t986 - 0.3365038132e0_dp &
1968 + 0.9531842928e0_dp*t667*t1160 + 0.4206297667e-1_dp*t97*t937*t865 &
1980 *t687*t937*t1211 + 0.4854179267e0_dp*t297*t906*t1211 - &
1981 0.1682519066e0_dp*t696*t937*t1221 + 0.1906368585e1_dp*t298*t1235 &
2028 + 0.9531842928e0_dp*t553*t1383 + 0.4206297667e-1_dp*t61*t937*t865 &
2052 *t582*t937*t1493 + 0.1906368585e1_dp*t246*t1507 &
2067 *t529*t937*t1483 + 0.9708358534e0_dp*t226*t906*t1483 &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_ml1.c1138 t937 = t189 * t189; in func_pol()
1146 t953 = t35 * t937; in func_pol()
1165 t1024 = t90 * t937; in func_pol()
1859 t2769 = t937 * t68; in func_pol()
1865 t2777 = t937 * t85; in func_pol()
1946 t3011 = t131 * t937; in func_pol()
1979 t3169 = t937 * t104; in func_pol()
2019 t3321 = t452 * t937; in func_pol()
3411 t8951 = t56 * t937; in func_pol()
3512 t9360 = t23 * t937; in func_pol()
[all …]
H A Dlda_c_vwn_1.c769 double t919, t922, t932, t934, t937, t939, t940, t942; in func_pol() local
1221 t937 = t424 * t189 * t47; in func_pol()
1225 …t943 = t683 - 0.2e1 * t685 - t688 - t902 - t905 - t934 + t885 + 0.2e1 * t887 + t890 + t937 + t940 … in func_pol()
1240 …t982 = t683 - t685 - 0.2e1 * t902 - t905 - t949 - t976 + t885 + t887 + 0.2e1 * t937 + t940 + t979 … in func_pol()
1251 t1010 = 0.3e1 * t937; in func_pol()
1382 …887 + 0.2e1 * t890 - 0.6e1 * t902 - 0.8e1 * t904 - 0.2e1 * t934 + 0.6e1 * t937 + 0.8e1 * t939 + 0.… in func_pol()
1390 …13 + t1016 + t1020 - t1841 + t1843 - t686 + t888 - 0.9e1 * t902 + 0.9e1 * t937 - 0.6e1 * t949 - 0.… in func_pol()
1399 …v4rho4[4] = t1016 - 0.12e2 * t902 - 0.12e2 * t949 - 0.4e1 * t1009 + t1020 + 0.12e2 * t937 + 0.12e2… in func_pol()
H A Dlda_c_vwn_rpa.c769 double t919, t922, t932, t934, t937, t939, t940, t942; in func_pol() local
1221 t937 = t424 * t189 * t47; in func_pol()
1225 …t943 = t683 - 0.2e1 * t685 - t688 - t902 - t905 - t934 + t885 + 0.2e1 * t887 + t890 + t937 + t940 … in func_pol()
1240 …t982 = t683 - t685 - 0.2e1 * t902 - t905 - t949 - t976 + t885 + t887 + 0.2e1 * t937 + t940 + t979 … in func_pol()
1251 t1010 = 0.3e1 * t937; in func_pol()
1382 …887 + 0.2e1 * t890 - 0.6e1 * t902 - 0.8e1 * t904 - 0.2e1 * t934 + 0.6e1 * t937 + 0.8e1 * t939 + 0.… in func_pol()
1390 …13 + t1016 + t1020 - t1843 + t1845 - t686 + t888 - 0.9e1 * t902 + 0.9e1 * t937 - 0.6e1 * t949 - 0.… in func_pol()
1399 …v4rho4[4] = t1016 - 0.12e2 * t902 - 0.12e2 * t949 - 0.4e1 * t1009 + t1020 + 0.12e2 * t937 + 0.12e2… in func_pol()
H A Dlda_x_rel.c390 double t908, t913, t934, t937; in func_pol() local
740 …t937 = -t488 - t492 + t496 + t499 + t502 + t506 + t528 + t532 + t573 - t889 / 0.2e1 + 0.1125000000… in func_pol()
742 v4rho4[4] = t934 + t937; in func_pol()
H A Dlda_c_pw.c543 double t918, t921, t925, t926, t930, t937, t938, t941; in func_pol() local
1188 t937 = t441 * t213; in func_pol()
1189 t938 = t937 * t214; in func_pol()
1193 t948 = t937 * t473 * t76; in func_pol()
1205 t989 = t937 * t985 * t988; in func_pol()
/dports/science/buddy/buddy-2.4/examples/bddcalc/
H A Dexpected122 Formula t937 is a tautology!
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_k_llp.c691 double t934, t937, t939, t940, t942, t944, t945, t947; in func_pol() local
1275 t937 = -0.3e1 * t240 - 0.3e1 * t615; in func_pol()
1276 t939 = t81 * t82 * t937; in func_pol()
1283 t950 = -t937; in func_pol()
1665 t2162 = t81 * t232 * t937; in func_pol()
1671 ….3e1 + 0.2e1 / 0.3e1 * t2165 + t129 * t2167 * t131 / 0.2e1 + t81 * t236 * t937 / 0.2e1 - 0.2e1 / 0… in func_pol()
1675 …9 + t302 * t351 * t864 + t302 * t130 * t950 * t131 / 0.3e1 + t227 * t82 * t937 * t87 / 0.3e1 - t65… in func_pol()
1697 … 0.4e1 / 0.3e1 * t302 * t130 * t950 * t146 + 0.4e1 / 0.3e1 * t227 * t82 * t937 * t142 + 0.4e1 * t3… in func_pol()
1770 …* t2753 - t2630 - t433 * t2637 * t1020 / 0.9e1 + t433 * t1046 * t1024 + t433 * t434 * t937 / 0.2e1; in func_pol()
H A Dgga_xc_th1.c502 double t926, t928, t931, t934, t937, t940, t943, t946; in func_pol() local
1065 t937 = t75 * t810; in func_pol()
1072 …5e1 / 0.9e1 * t931 * t51 + 0.55e2 / 0.72e2 * t934 * t51 + 0.3e1 / 0.8e1 * t937 * t93 + 0.5e1 / 0.9… in func_pol()
1395 …1 / 0.9e1 * t931 * t222 + 0.55e2 / 0.72e2 * t934 * t222 + 0.3e1 / 0.8e1 * t937 * t188 + 0.5e1 / 0.… in func_pol()
1492 …t2277 = 0.9e1 / 0.4e1 * t323 * t890 + 0.6e1 * t285 * t842 + 0.9e1 / 0.8e1 * t937 * t301 + 0.5e1 / … in func_pol()
1621 …/ 0.3e1 + t2329 + t2331 + 0.55e2 / 0.72e2 * t943 * t403 + 0.3e1 / 0.8e1 * t937 * t403 + 0.5e1 / 0.… in func_pol()
2007 …1 / 0.9e1 * t931 * t550 + 0.55e2 / 0.72e2 * t934 * t550 + 0.3e1 / 0.8e1 * t937 * t514 + 0.5e1 / 0.… in func_pol()
2074 … t225 * t2228 + 0.2e1 * t364 * t1884 + 0.55e2 / 0.12e2 * t912 * t683 + 0.9e1 / 0.8e1 * t937 * t705; in func_pol()
2111 …64 * t2228 + t97 * t4849 / 0.2e1 + 0.8e1 * t285 * t2273 + 0.9e1 / 0.4e1 * t937 * t857 + t30 * t490… in func_pol()
2296 …/ 0.27e2 * t943 * t970 + 0.4e1 / 0.3e1 * t102 * t6128 + 0.4e1 / 0.3e1 * t107 * t6128 + t937 * t970; in func_pol()
[all …]
H A Dgga_xc_th3.c513 double t930, t931, t934, t935, t937, t939, t940, t942; in func_pol() local
1093 t937 = t162 * t94; in func_pol()
1097 t943 = -0.16e2 / 0.3e1 * t937 + 0.16e2 / 0.3e1 * t940 + t942; in func_pol()
1102 …0.2e1 * t185 * t400 - 0.4e1 / 0.3e1 * t87 * t937 - 0.4e1 / 0.3e1 * t108 * t937 - 0.4e1 / 0.3e1 * t… in func_pol()
1566 …3e1 * t935 * t287 - 0.20e2 / 0.9e1 * t327 * t937 - 0.22e2 / 0.9e1 * t332 * t937 - 0.8e1 / 0.3e1 * … in func_pol()
2291 …t937 + 0.22e2 / 0.9e1 * t931 * t831 + 0.8e1 / 0.3e1 * t935 * t831 + 0.100e3 / 0.27e2 * t927 * t827… in func_pol()
H A Dgga_k_thakkar.c754 double t929, t931, t933, t935, t937, t939, t942, t944; in func_pol() local
1363 t937 = t148 * t7; in func_pol()
1364 t939 = t316 * t360 * t937; in func_pol()
1774 t2015 = t316 * t785 * t937; in func_pol()
1805 … t1047 * t89 / 0.3e1 - t684 * t365 * t933 / 0.3e1 - 0.2e1 * t316 * t900 * t937 + t316 * t907 * t35… in func_pol()
1905 …1 * t2768 - t452 * t2657 * t933 / 0.9e1 - 0.2e1 / 0.3e1 * t1171 * t1151 * t937 + 0.5e1 / 0.3e1 * t… in func_pol()
H A Dgga_k_lc94.c947 double t926, t927, t928, t935, t936, t937, t939, t942; in func_pol() local
1577 t937 = t7 * t185; in func_pol()
1578 t939 = t422 * t466 * t937; in func_pol()
2040 t2033 = t422 * t996 * t937; in func_pol()
2099 …* t798 * t452 * t2107 * t959 + 0.4e1 / 0.9e1 * t6 * t815 * t452 * t2101 * t937 + t422 * t1098 * t4… in func_pol()
2114 …2e1 / 0.3e1 * t323 * t114 * t1087 * t119 - 0.4e1 / 0.3e1 * t422 * t1091 * t937 - 0.10e2 / 0.9e1 * … in func_pol()
2228 …6 / 0.6e1 - t569 * t2971 * t963 / 0.9e1 - 0.2e1 / 0.3e1 * t1364 * t1344 * t937 + t569 * t1344 * t9… in func_pol()
H A Dgga_x_pbea.c434 double t930, t931, t937, t938, t941, t943, t946, t949; in func_pol() local
1138 t937 = t40 * t268; in func_pol()
1139 t938 = t866 * t937; in func_pol()
1522 …3 * t307 * t913 * t960 * t80 + 0.40135405040566077442e-3 * t307 * t2333 * t937 * t80 + 0.120406215… in func_pol()
H A Dgga_x_g96.c424 double t928, t931, t934, t937, t941, t942, t945, t946; in func_pol() local
1194 t937 = t348 * t104; in func_pol()
1196 …7 * t928 / 0.1096e4 + t117 * t931 / 0.548e3 + t912 + t306 * t934 / 0.274e3 - t117 * t937 / 0.274e3; in func_pol()
1599 t2552 = t38 * t937; in func_pol()
H A Dgga_k_exp4.c506 double t928, t931, t934, t936, t937, t941, t944, t948; in func_pol() local
1079 t937 = t936 * t114; in func_pol()
1081 …e1 / 0.6e1 * t926 + t357 * t928 / 0.3e1 - t921 * t931 / 0.2e1 + t934 / 0.2e1 + t357 * t937 / 0.2e1; in func_pol()
1414 t2202 = 0.5e1 / 0.3e1 * t911 * t937; in func_pol()
H A Dgga_x_ol2.c535 double t924, t925, t929, t935, t936, t937, t939, t940; in func_pol() local
1172 t937 = t936 * t401; in func_pol()
1182 …v3rho2sigma[3] = -0.2e1 / 0.3e1 * t881 - t885 - t887 / 0.2e1 - 0.2e1 / 0.3e1 * t937 - t940 * t942 … in func_pol()
1199 v3rho2sigma[6] = -0.4e1 / 0.3e1 * t937 - t885 - t152 * t974 / 0.6e1 - t152 * t978 / 0.2e1; in func_pol()
H A Dgga_k_apbe.c466 double t934, t935, t936, t937, t938, t939, t942, t943; in func_pol() local
1207 t937 = t462 * t936; in func_pol()
1209 t939 = t937 * t938; in func_pol()
1702 …t1040 / t47 / t1984 * t1047 * t285 / 0.180e3 + 0.43e2 / 0.1440e4 * t934 * t937 * t980 - 0.19e2 / 0… in func_pol()
H A Dgga_x_sg4.c709 double t937, t939, t941, t942, t944, t946, t948, t949; in func_pol() local
1331 t937 = t7 * t102 * t935; in func_pol()
1332 …8 - t833 - t927 / 0.8e1 + t841 / 0.6e1 - t698 - t710 + t712 / 0.12e2 - t933 / 0.6e1 - t937 / 0.2e1; in func_pol()
1742 …t2165 = -t937 - t944 + 0.2e1 * t948 - t952 - t956 - t959 / 0.9e1 - t962 / 0.3e1 - t965 / 0.9e1 - 0… in func_pol()
1764 …t2355 = -t1707 - t1710 + t713 - t933 / 0.2e1 - 0.3e1 / 0.2e1 * t937 - 0.3e1 / 0.2e1 * t944 + 0.3e1… in func_pol()
H A Dgga_x_rpbe.c488 double t937, t943, t945, t946, t947, t948, t949, t952; in func_pol() local
1220 t937 = t24 * t366 * t223; in func_pol()
1222 v3rho2sigma[2] = -t926 / 0.18e2 - t929 - t931 * t933 / 0.144e3 - t365 * t937 / 0.48e2; in func_pol()
1641 t2425 = t925 * t937; in func_pol()
H A Dgga_c_scan_e0.c1415 double t916, t919, t920, t927, t931, t934, t937, t941; in func_pol() local
2467 t937 = -t931; in func_pol()
2468 …927 + 0.4e1 / 0.3e1 * t44 * t931 + 0.4e1 / 0.9e1 * t401 * t934 + 0.4e1 / 0.3e1 * t47 * t937) * t53; in func_pol()
2487 t971 = -t588 * t927 / 0.9e1 + t235 * t931 / 0.3e1 - t593 * t934 / 0.9e1 + t237 * t937 / 0.3e1; in func_pol()
3265 t2402 = t593 * t937; in func_pol()
3292 t2471 = t401 * t937; in func_pol()
3448 … / 0.3e1 + t235 * t2825 / 0.3e1 + 0.4e1 / 0.27e2 * t1332 * t2828 - t806 * t937 / 0.3e1 + t237 * t2… in func_pol()
3459 …1 * t44 * t2825 - 0.8e1 / 0.27e2 * t1205 * t2828 + 0.4e1 / 0.3e1 * t757 * t937 + 0.4e1 / 0.3e1 * t… in func_pol()
5039 t7741 = t937 * t182; in func_pol()
5040 t7744 = t395 * t937; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_tm.c69 double t915, t923, t930, t937, t940, t941; in func_unpol() local
1040 t2376 = t937 * t195; in func_unpol()
1183 t2759 = t937 * t254; in func_unpol()
1244 t3000 = t301 * t937; in func_unpol()
1998 t10125 = t937 * t937; in func_unpol()
2637 t937 = t108 * t308; in func_ferr()
4991 t937 = t145 * t145; in func_pol()
4992 t939 = 0.1e1 / t146 / t937; in func_pol()
5004 t972 = 0.1e1 / t159 / t937; in func_pol()
5738 t2673 = t937 * t145; in func_pol()
[all …]
H A Dmgga_c_scanl.c1164 t938 = t935 * t937; in func_unpol()
1942 t2832 = t2831 * t937; in func_unpol()
14195 t938 = t320 * t937; in func_pol()
15136 t2683 = t652 * t937; in func_pol()
15265 t2897 = t847 * t937; in func_pol()
15623 t3655 = t928 * t937; in func_pol()
15658 t3704 = t953 * t937; in func_pol()
15677 t3732 = t1015 * t937; in func_pol()
15814 t4026 = t1067 * t937; in func_pol()
15829 t4050 = t1116 * t937; in func_pol()
[all …]
H A Dmgga_x_ms.c80 double t922, t925, t927, t932, t934, t936, t937, t938; in func_unpol() local
644 t937 = t92 * t936; in func_unpol()
645 t938 = t937 * t138; in func_unpol()
1445 double t930, t931, t933, t934, t936, t937, t938, t939; in func_ferr() local
2004 t937 = 0.1e1 / t936; in func_ferr()
2005 t938 = t45 * t937; in func_ferr()
2739 double t926, t928, t929, t930, t932, t934, t936, t937; in func_pol() local
3608 t937 = t73 * t936; in func_pol()
3616 … t930 + 0.25e2 / 0.54e2 * t932 - 0.25e2 / 0.864e3 * t934 + 0.2e1 * t444 * t937 - 0.2e1 * t174 * t9… in func_pol()
4485 t2594 = t1201 * t937; in func_pol()
[all …]
H A Dhyb_mgga_x_pjs18.c580 t937 = t9 * t222 * t102; in func_unpol()
4784 t937 = t179 * t913; in func_pol()
7040 t8119 = t937 * t1393; in func_pol()
7247 t9042 = t937 * t1849; in func_pol()
7392 t9868 = t937 * t2276; in func_pol()
9975 t23080 = t937 * t4359; in func_pol()
10251 t25120 = t937 * t5338; in func_pol()
10253 t25122 = t937 * t5341; in func_pol()
10538 t27524 = t937 * t6290; in func_pol()
10542 t27528 = t937 * t6295; in func_pol()
[all …]

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