| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_hjs.c | 2320 double t2201, t2208, t2212, t2213, t2214, t2217, t2220, t2221; in func_ferr() local
3266 t2201 = t157 * t1; in func_ferr()
3435 v3rho2sigma[0] = -t2201 * t656 / 0.6e1 - t1027 * t1365 - 0.3e1 / 0.8e1 * t272 * t2913; in func_ferr()
4520 double t2195, t2196, t2198, t2200, t2201, t2202, t2203, t2215; in func_pol() local
6908 t2201 = t233 * t2200; in func_pol()
12596 …e2 * t2201 * t7027 * t19271 + 0.175e3 / 0.6e1 * t2201 * t2172 * t2712 * t6626 + 0.175e3 / 0.12e2 *… in func_pol()
14431 …t2201 * t20378 * t28123 + 0.175e3 / 0.6e1 * t2201 * t7027 * t28127 - 0.400e3 / 0.9e1 * t7055 * t60… in func_pol()
15993 …t2201 * t12131 * t37967 + 0.175e3 / 0.18e2 * t2201 * t11301 * t38008 - 0.175e3 / 0.9e1 * t7015 * t… in func_pol()
16303 …t2201 * t12131 * t40639 + 0.175e3 / 0.12e2 * t2201 * t11301 * t40627 + 0.175e3 / 0.6e1 * t2201 * t… in func_pol()
16997 …t2201 * t43653 * t12074 - 0.175e3 / 0.8e1 * t2201 * t43653 * t12079 + 0.175e3 / 0.18e2 * t2201 * t… in func_pol()
[all …]
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| H A D | gga_x_hjs_b88_v2.c | 6533 double t2190, t2192, t2193, t2196, t2198, t2200, t2201, t2202; in func_pol() local
9164 t2201 = t159 * t2200; in func_pol()
11466 …13 * t8742 - 0.25e2 / 0.18e2 * t2201 * t8745 + t8749 - 0.25e2 / 0.18e2 * t2201 * t8750 + t8756 + 0… in func_pol()
12378 …t11741 = -0.25e2 / 0.6e1 * t2201 * t11720 - 0.25e2 / 0.6e1 * t2201 * t11723 + 0.175e3 / 0.12e2 * t… in func_pol()
15464 …t2201 * t2202 * t24150 - 0.40e2 / 0.27e2 * t2913 * t2914 * t24040 - 0.25e2 / 0.6e1 * t2201 * t8834… in func_pol()
15530 …e2 * t2201 * t6086 * t24465 + 0.175e3 / 0.6e1 * t2201 * t2232 * t2740 * t8535 + 0.175e3 / 0.12e2 *… in func_pol()
17509 …t2201 * t742 * t11316 * t675 + 0.100e3 / 0.9e1 * t2913 * t6082 * t33239 - 0.175e3 / 0.6e1 * t8839 … in func_pol()
18983 …t2201 * t42609 * t8535 - 0.175e3 / 0.9e1 * t8839 * t13283 * t42231 - t42617 - t42619 + 0.175e3 / 0… in func_pol()
19413 …8e2 * t2201 * t42609 * t14256 + 0.175e3 / 0.36e2 * t2201 * t13283 * t44796 + 0.175e3 / 0.18e2 * t2… in func_pol()
19694 …325 * t10796 - 0.25e2 / 0.6e1 * t2201 * t45543 * t895 - 0.25e2 / 0.6e1 * t2201 * t14317 * t3436 - … in func_pol()
[all …]
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| H A D | gga_c_scan_e0.c | 1503 double t2180, t2183, t2184, t2185, t2190, t2196, t2201, t2202; in func_pol() local
3197 t2201 = t264 * t1705 * t119; in func_pol()
3207 …t2235 = 0.58544643236296698112e-1 * t1701 - 0.16463622957338778997e0 * t2201 * t2204 + 0.164636229… in func_pol()
3368 …1 * t2602 - 0.25610080155860322883e0 * t2605 - 0.16463622957338778997e0 * t2201 * t2609 - 0.213417… in func_pol()
4297 …t2201 * t612 * t4575 * t4674 - 0.13170898365871023197e1 * t821 * t612 * t4575 * t1400 - 0.65854491… in func_pol()
4573 …t2201 * t612 * t834 * t1710 - 0.32927245914677557992e0 * t821 * t612 * t834 * t1715 + 0.6585449182… in func_pol()
4678 …t2201 * t5914 * t5383 * t4225 - 0.98781737744032673980e0 * t610 * t2277 * t2309 * t282 + 0.1646362… in func_pol()
4894 …* t341 * t2178 + 0.65854491829355115986e0 * t2201 * t2282 * t6861 * t2283 - 0.65854491829355115986… in func_pol()
4909 …0 * t7010 - 0.51220160311720645766e0 * t7012 - 0.16463622957338778997e0 * t2201 * t823 * t2600 * t… in func_pol()
4914 …00 * t673 - 0.85366933852867742946e0 * t5794 - 0.16463622957338778997e0 * t2201 * t823 * t2595 * t… in func_pol()
[all …]
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| H A D | gga_x_g96.c | 455 double t2146, t2169, t2178, t2179, t2184, t2192, t2201, t2204; in func_pol() local
1489 t2201 = t411 * t311; in func_pol()
1492 … * t60 + 0.4e1 / 0.1233e4 * t2107 * t784 * t91 * t21 - 0.4e1 / 0.1233e4 * t2201 + t2204 + t2205 / … in func_pol()
1513 …v4rho3sigma[6] = -0.8e1 / 0.1233e4 * t2201 - t2184 + t2169 + t2204 - 0.8e1 / 0.411e3 * t2205 - 0.4… in func_pol()
1534 …v4rho3sigma[9] = -0.4e1 / 0.411e3 * t2201 - 0.4e1 / 0.411e3 * t2260 - 0.4e1 / 0.137e3 * t2274 + t2… in func_pol()
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| H A D | gga_x_lsrpbe.c | 610 double t2196, t2199, t2201, t2204, t2206, t2219, t2246, t2249; in func_pol() local
1533 t2201 = t7 * t92 * t405; in func_pol()
1543 …v4rho3sigma[0] = -t2201 / 0.2e1 - 0.3e1 / 0.2e1 * t2204 - 0.3e1 / 0.8e1 * t153 * t154 * (-0.154e3 … in func_pol()
1565 …v4rho3sigma[3] = -t2201 / 0.3e1 - t2204 / 0.2e1 + t987 * t2308 * t704 / 0.9e1 - 0.2e1 / 0.9e1 * t2… in func_pol()
1582 …- t2320 - t2338 - 0.4e1 / 0.3e1 * t2323 - 0.2e1 / 0.9e1 * t2249 + t2266 - t2201 / 0.6e1 - 0.2e1 / … in func_pol()
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| H A D | gga_xc_th3.c | 560 double t2188, t2191, t2192, t2194, t2196, t2201, t2202, t2222; in func_pol() local
1506 t2201 = 0.88e2 / 0.9e1 * t478; in func_pol()
1507 … 0.9e1 * t2196 - 0.256e3 / 0.9e1 * t2127 + 0.80e2 / 0.9e1 * t2148 + 0.16e2 / 0.3e1 * t2130 - t2201; in func_pol()
1536 t2314 = 0.80e2 / 0.9e1 * t2288 + 0.16e2 / 0.3e1 * t2299 - t2201; in func_pol()
1553 …= -0.128e3 / 0.9e1 * t2387 + 0.80e2 / 0.9e1 * t2147 * t2366 + 0.16e2 / 0.3e1 * t939 * t463 - t2201; in func_pol()
1581 … -0.128e3 / 0.9e1 * t2519 + 0.80e2 / 0.9e1 * t2287 * t2502 - 0.16e2 / 0.3e1 * t1043 * t463 - t2201; in func_pol()
1598 t2658 = 0.80e2 / 0.9e1 * t2631 + 0.16e2 / 0.3e1 * t2624 - t2201; in func_pol()
1619 … 0.9e1 * t2758 - 0.256e3 / 0.9e1 * t2727 + 0.80e2 / 0.9e1 * t2711 + 0.16e2 / 0.3e1 * t2731 - t2201; in func_pol()
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| H A D | gga_x_pw86.c | 626 double t2198, t2201, t2204, t2207, t2245, t2271, t2277, t2287; in func_pol() local
1645 t2201 = t357 * t745 * t940; in func_pol()
1649 …t2271 = -t2198 / 0.30e2 - t2201 / 0.30e2 + 0.7e1 / 0.300e3 * t2204 + 0.7e1 / 0.225e3 * t2207 - 0.5… in func_pol()
1667 …t2191 - 0.2e1 / 0.3e1 * t2194 - 0.2e1 / 0.15e2 * t2198 - 0.2e1 / 0.15e2 * t2201 + 0.7e1 / 0.75e2 *… in func_pol()
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| H A D | gga_x_airy.c | 1147 double t2201, t2204, t2208, t2209, t2210, t2220, t2221, t2239; in func_pol() local
2272 t2201 = t834 * t807; in func_pol()
2285 …+ 0.84908755835065660761e-3 * t2198 * t2093 - 0.92745118461476730205e-2 * t2201 * t792 + 0.2062183… in func_pol()
2457 … - 0.65901958500174049686e-4 * t2160 * t534 + 0.26084564567290330370e-2 * t2201 * t1340 + 0.491915… in func_pol()
2566 … - 0.38665936385763188927e0 * t3290 * t1340 - 0.65211411418225825922e-3 * t2201 * t1594 - 0.656929… in func_pol()
2655 …+ 0.24646390202234588569e-10 * t310 * t4227 + 0.12227139640917342360e-3 * t2201 * t1776 - 0.271869… in func_pol()
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| H A D | gga_k_thakkar.c | 797 double t2196, t2199, t2201, t2203, t2205, t2207, t2210, t2222; in func_pol() local
1796 t2201 = t131 * t808 * t391; in func_pol()
1798 … * t131 * t346 * t443 * t7 + t2193 / 0.3e1 + 0.2e1 / 0.3e1 * t2196 + t2199 + t2201 + t2203 / 0.3e1; in func_pol()
1831 …+ 0.4e1 / 0.3e1 * t2193 + 0.8e1 / 0.3e1 * t2196 + 0.4e1 * t2199 + 0.4e1 * t2201 + 0.4e1 / 0.3e1 * … in func_pol()
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| H A D | gga_x_bayesian.c | 829 double t2201, t2204, t2214, t2219, t2222, t2225, t2227, t2233; in func_pol() local
1858 t2201 = t896 * t901 * t978; in func_pol()
1860 … / 0.9e1 - 0.5e1 / 0.27e2 * t2006 * t371 * t406 * t326 + 0.2e1 / 0.27e2 * t2201 + 0.7e1 / 0.9e1 * … in func_pol()
1884 …t2367 = t2124 / 0.3e1 - t2173 / 0.3e1 - t2180 / 0.6e1 + t2187 / 0.9e1 - t2194 / 0.6e1 + t2201 / 0.… in func_pol()
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| H A D | gga_c_w94.c | 553 double t2189, t2195, t2201, t2202, t2204, t2206, t2210, t2212; in func_pol() local
1552 …t2201 = -0.5e1 / 0.6e1 * t2189 - 0.5e1 / 0.6e1 * t115 * t220 * t451 - 0.25e2 / 0.36e2 * t2195 - t2… in func_pol()
1558 v4rho3sigma[7] = t2170 + t2186 + t2201 + t2210; in func_pol()
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| H A D | gga_x_s12.c | 774 double t2161, t2176, t2192, t2199, t2201, t2265, t2271, t2279; in func_pol() local
1781 …t2201 = -0.5e1 / 0.27e2 * t1426 - 0.5e1 / 0.36e2 * t1518 + t1617 + t1621 + t1773 + t1787 + t1953 /… in func_pol()
1783 …t2271 = t9 * (t2161 + t2176 + t2201 + t2265) - t1378 - t1381 + t587 + 0.3e1 / 0.4e1 * t708 - 0.3e1… in func_pol()
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| H A D | gga_c_op_g96.c | 708 double t2197, t2198, t2201, t2202, t2203, t2206, t2213, t2221; in func_pol() local
2081 t2201 = t138 * t149; in func_pol()
2082 t2202 = t465 * t2201; in func_pol()
2155 t2413 = t532 * t2201; in func_pol()
3166 …000e2 * t5210 - 0.60000000000000000000e1 * t4982 + 0.21577711920000000000e2 * t322 * t1234 * t2201; in func_pol()
4370 … t2201 - 0.29166953122465531224e-2 * t1916 * t3076 - 0.29166953122465531224e-2 * t1919 * t3080 + 0… in func_pol()
4434 …t2201 - 0.29166953122465531224e-2 * t1916 * t3427 - 0.29166953122465531224e-2 * t1919 * t3431 - 0.… in func_pol()
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| H A D | gga_x_q2d.c | 1122 double t2201, t2202, t2203, t2204, t2205, t2206, t2207, t2208; in func_pol() local
2646 t2201 = t2198 * t2200; in func_pol()
2647 t2202 = t1114 * t2201; in func_pol()
3433 …192e3 - t5819 / 0.1152e4 - t186 * t5821 * t192 / 0.384e3 - t186 * t2846 * t2201 / 0.37748736e8 - t… in func_pol()
3573 …17 * t6575 * t72 - 0.3e1 / 0.256e3 * t186 * t2168 * t703 - t186 * t4548 * t2201 / 0.25165824e8 + 0… in func_pol()
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| H A D | gga_x_ncap.c | 2238 double t2175, t2176, t2179, t2181, t2184, t2185, t2190, t2201; in func_pol() local
3478 t2201 = t166 * t816; in func_pol()
3481 …* t468 - t144 * t301 * t1215 - t144 * t465 * t791 - 0.2e1 * t144 * t162 * t2201 + 0.4e1 * t144 * t… in func_pol()
3675 … t144 * t162 * t2763 - 0.2e1 * t144 * t780 * t791 - 0.2e1 * t144 * t301 * t2201 - 0.6e1 * t144 * t… in func_pol()
4361 …t144 * t1259 * t791 - 0.3e1 * t144 * t162 * t5865 - 0.3e1 * t144 * t465 * t2201 - 0.6e1 * t144 * t… in func_pol()
4507 …t144 * t162 * t6806 - 0.2e1 * t144 * t2140 * t791 - 0.4e1 * t144 * t780 * t2201 - 0.2e1 * t144 * t… in func_pol()
4714 …t474 * t3126 * t179 - 0.3e1 * t144 * t2752 * t791 - 0.3e1 * t144 * t986 * t2201 - t144 * t162 * t8… in func_pol()
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| H A D | gga_k_meyer.c | 1312 double t2194, t2195, t2196, t2200, t2201, t2202, t2203, t2204; in func_pol() local
2449 t2201 = t2200 / 0.2304e4; in func_pol()
2450 …t1303 / 0.13824e5 - t521 * t2188 * t802 / 0.1152e4 - t2194 + t199 * t2196 / 0.192e3 + t2201 - t813; in func_pol()
3003 …6e6 - t199 * t2195 * t202 / 0.144e3 - t2183 + t1947 / 0.31104e5 - t2194 + t2201 + t1958 / 0.15552e… in func_pol()
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| H A D | gga_x_ft97.c | 1066 double t2192, t2201, t2204, t2205, t2208, t2209, t2228, t2230; in func_pol() local
2222 …t2201 = -0.6e1 * t879 - 0.2e1 * t884 - t2192 + 0.4e1 / 0.9e1 * t896 - 0.2e1 / 0.3e1 * t900 - 0.2e1… in func_pol()
2224 v4rho4[0] = t2189 + t2201; in func_pol()
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| H A D | gga_x_sfat_pbe.c | 128 double t2196, t2199, t2201, t2206, t2209, t2210, t2214, t2217; in func_unpol() local
1029 t2201 = t15 * t2199 * t8; in func_unpol()
1078 …1248883451602028e-7 * t2281 * t2196 + 0.18561189352816638830e-6 * t2281 * t2201 + 0.14357000254338… in func_unpol()
1079 …0665475681708830e-6 * t2193 * t2196 - 0.19798601976337748085e-5 * t2193 * t2201 - 0.15314133604627… in func_unpol()
1472 …t2201 + 0.25338739098620289005e-3 * t616 * t980 * t1604 * t2421 * t5151 + 0.62718098806020368323e-… in func_unpol()
1522 …t2201 - 0.63990665475681708830e-6 * t5428 * t2196 + t5468 - 0.11662339222539568277e-3 * t1807 * t2… in func_unpol()
1549 …0526501428057248e-5 * t5733 * t2179 + 0.74244757411266555319e-6 * t5739 * t2201 + 0.57428001017353… in func_unpol()
1577 …6266190272683532e-5 * t5883 * t2196 - 0.79194407905350992339e-5 * t5883 * t2201 + 0.36185868820210… in func_unpol()
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| H A D | gga_x_lg93.c | 1007 double t2198, t2199, t2200, t2201, t2202, t2203, t2204, t2206; in func_pol() local
2612 t2201 = 0.10405833333333333333e-10 * t2200; in func_pol()
2628 …v3rhosigma2[5] = t811 + t815 - t832 - t835 + t9 * (t2195 + t2198 + t2201 + t2203 - t2207 - t2210 -… in func_pol()
3496 …t6814 = -t2259 + t2262 - t2283 + t2201 - t6497 + t2318 + t6493 - t2215 + t2266 - t2270 - t2304 - t… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_4.c | 849 double t2195, t2197, t2199, t2201, t2204, t2244, t2252, t2256; in func_pol() local
1934 t2201 = 0.29070683134633122642e-2 * t945 * t122; in func_pol()
1943 …t2370 = -t2177 - t2180 - t2185 + t2190 - t2195 - t2197 - t2199 - t2201 - t2284 + 0.674360128662783… in func_pol()
2045 …t2866 = 0.16e2 * t2848 - 0.16e2 * t2850 + t2853 + 0.48e2 * t2854 - t2857 + t2197 + t2199 + t2201 +… in func_pol()
2152 …t3115 = -0.12e2 * t3095 + t3098 - t2857 + t2197 + t2199 + t2201 + t2284 + t3099 - t3101 + t3103 - … in func_pol()
2197 …3319 + 0.20e2 * t3321 + 0.12e2 * t3323 - 0.32e2 * t3325 + t2197 + t2199 + t2201 + t2284 - 0.48e2 *… in func_pol()
2217 …3315 - 0.24e2 * t3317 + 0.60e2 * t3321 - 0.36e2 * t3323 + t2197 + t2199 + t2201 + t2284 - t1611 * … in func_pol()
2241 …t3612 = t2199 + t2201 + t2284 - t3478 / 0.6e1 - t3486 / 0.2e1 - t2859 + 0.384e3 * t3104 + 0.144e3 … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_b88.c | 2205 t2201 = t2158 + t2200; in func_ferr()
4635 t2201 = t261 * t68; in func_pol()
4636 t2202 = t2201 * t622; in func_pol()
4818 t2477 = t2201 * t777; in func_pol()
5482 t3566 = t2201 * t1112; in func_pol()
7859 t7251 = t2201 * t1925; in func_pol()
7872 t7332 = t2201 * t1931; in func_pol()
7911 t7566 = t2201 * t2237; in func_pol()
7934 t7707 = t2201 * t2204; in func_pol()
7973 t8137 = t2201 * t2456; in func_pol()
[all …]
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| H A D | mgga_x_msb.c | 1590 double t2167, t2171, t2174, t2181, t2182, t2201, t2206, t2209; in func_ferr() local
2475 t2201 = t686 * t116; in func_ferr()
2508 …e3 / 0.9e1 * t111 * t53 * t629 - 0.45e2 * t2445 * t354 * t233 - 0.450e3 * t2201 * t240 * t221 * ta… in func_ferr()
2565 … t2884 - 0.1260e4 * t706 * t2817 - 0.16800e5 * t2206 * t2820 + 0.3600e4 * t2201 * t2892 - 0.6300e4… in func_ferr()
2587 …1 * t224 * t200 + 0.45e2 / 0.8e1 * t2181 * t486 * t221 + 0.75e2 / 0.2e1 * t2201 * t2415 * tau[0] -… in func_ferr()
2644 …t3899 = 0.9e1 / 0.4e1 * t2067 * t402 + 0.26e2 * t1241 - 0.3e1 / 0.4e1 * t3878 - 0.300e3 * t2201 * … in func_ferr()
2677 …73 * t573 * t233 - 0.480e3 * t4293 + 0.1300e4 / 0.3e1 * t487 + 0.2400e4 * t2201 * t4280 - 0.8400e4… in func_ferr()
3048 double t2186, t2187, t2189, t2190, t2192, t2195, t2201, t2206; in func_pol() local
4492 t2201 = t323 * t537; in func_pol()
4493 …164 * t2195 - t182 * t2142 - 0.2e1 * t182 * t2144 - t182 * t2190 - t182 * t2201 + t2134 * t67 + 0.… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_2d_prp10.c | 1333 double t2182, t2183, t2185, t2186, t2195, t2200, t2201, t2202; in func_pol() local
2726 t2201 = t2200 / 0.4e1; in func_pol()
2731 …t2230 = -t2177 + t2180 - t2183 - t2186 + t2195 * t132 * t377 / 0.4e1 + t2201 + t2202 / 0.2e1 + t22… in func_pol()
3001 ….3e1 * t2537 + t2540 / 0.3e1 - t1131 * t175 * t588 / 0.2e1 + t2180 - t2183 - t2186 + t2201 + t2545; in func_pol()
3223 …t2775 = t2201 + t2365 + t2758 + t2366 + t993 * t2759 / 0.2e1 - t2762 - t2381 + 0.3e1 / 0.4e1 * t87… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 323 t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & local
1468 t2201 = t327*t2200
1478 t2193 - 0.120e2_dp*t102*t2197 + 0.120e2_dp*t102*t2201 - 0.20e1_dp* &
1572 *t2227 - 0.960e2_dp*t302*t2201 - 0.8213333332e3_dp*t941*t2468 &
3102 t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & local
4244 t2201 = t327*t2200
4254 t2193 - 0.120e2_dp*t102*t2197 + 0.120e2_dp*t102*t2201 - 0.20e1_dp* &
4348 *t2227 - 0.960e2_dp*t302*t2201 - 0.8213333332e3_dp*t941*t2468 &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 323 t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & local
1468 t2201 = t327*t2200
1478 t2193 - 0.120e2_dp*t102*t2197 + 0.120e2_dp*t102*t2201 - 0.20e1_dp* &
1572 *t2227 - 0.960e2_dp*t302*t2201 - 0.8213333332e3_dp*t941*t2468 &
3102 t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & local
4244 t2201 = t327*t2200
4254 t2193 - 0.120e2_dp*t102*t2197 + 0.120e2_dp*t102*t2201 - 0.20e1_dp* &
4348 *t2227 - 0.960e2_dp*t302*t2201 - 0.8213333332e3_dp*t941*t2468 &
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