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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn.c850 double t2200, t2205, t2211, t2213, t2215, t2218, t2262, t2263; in func_pol() local
1939 t2200 = 0.46822652193836017178e1 * t1312 * t2 * t215 * t514 * t371; in func_pol()
1952 …t2384 = -0.14985780636950745589e-2 * t1159 * t368 - t2195 + t2200 - t2205 + 0.11239335477713059192… in func_pol()
2042 …t2864 = t99 * t2460 * t102 + t2195 - t2200 + t2205 + 0.144e3 * t2841 - 0.576e3 * t2843 + t2846 + 0… in func_pol()
2122 …t3054 = t2195 - t2200 + t2205 - t3027 + 0.12e2 * t3028 - 0.12e2 * t3030 + t3033 - 0.120e3 * t3034 … in func_pol()
2177 …t3230 = 0.4e1 * t2966 + 0.80e2 * t3021 + t2855 + 0.2e1 * t2858 + t2195 - t2200 + t2205 - 0.32e2 * … in func_pol()
2214 …t3453 = t2957 - t2958 + t2846 + 0.180e3 * t2963 + t2967 + t3022 + t2858 + t2195 - t2200 + t2205 - … in func_pol()
2240 …t3595 = -t2200 + t2205 - 0.960e3 * t3032 - 0.480e3 * t3034 + 0.4e1 * t3037 - t3063 / 0.6e1 - t3238… in func_pol()
H A Dlda_xc_bn05.c867 double t2193, t2196, t2200, t2202, t2204, t2207, t2208, t2209; in func_pol() local
2137 t2200 = 0.112e3 / 0.729e3 * t23 * t2019 * t60; in func_pol()
2139 … * t23 * t194 * t2188 - 0.8e1 / 0.81e2 * t2193 - 0.4e1 / 0.81e2 * t2196 + t2200 + 0.16e2 / 0.243e3… in func_pol()
2446 …t2976 = t2709 - 0.4e1 / 0.27e2 * t23 * t26 * t2943 + t2200 + 0.4e1 / 0.81e2 * t23 * t194 * t2947 -… in func_pol()
2697 …t3689 = t2709 + t2200 + 0.8e1 / 0.81e2 * t23 * t194 * t3462 + 0.32e2 / 0.729e3 * t2956 - t2964 - 0… in func_pol()
2984 …43e3 * t3718 + 0.4e1 / 0.27e2 * t3708 - 0.16e2 / 0.81e2 * t3006 + 0.16e2 / 0.243e3 * t2956 + t2200; in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90246 t2156,t2158,t2170,t2189,t2198,t2200,t2202,t2204,t2214,t2233,t2237,t2239,& local
1267 t2200 = t1125 * t592
1273 …+ .CONVERT."0.421724160E9" * t2200 + .CONVERT."0.196804608E9" * t2202 + .CONVERT."0.196804608E9" &
1450 * t2200 - .CONVERT."0.22238920704E11" * t2202 - .CONVERT."0.22238920704E11" * &
1657 * t2198 + .CONVERT."0.2693552209920E13" * t2200 + .CONVERT."0.1648238592000E13" &
1884 t3486 = .CONVERT."0.153345230438400E15" * t2200 + .CONVERT."0.103140374937600E15" * t2202 &
2145 * t2200 - .CONVERT."0.5967652007116800E16" * t2202 - .CONVERT."0.5967652007116800E16" &
2425 * t2198 - .CONVERT."0.430048086102835200E18" * t2200 - .CONVERT."0.333373821027287040E18" &
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90246 t2156,t2158,t2170,t2189,t2198,t2200,t2202,t2204,t2214,t2233,t2237,t2239,& local
1267 t2200 = t1125 * t592
1273 …+ .CONVERT."0.421724160E9" * t2200 + .CONVERT."0.196804608E9" * t2202 + .CONVERT."0.196804608E9" &
1450 * t2200 - .CONVERT."0.22238920704E11" * t2202 - .CONVERT."0.22238920704E11" * &
1657 * t2198 + .CONVERT."0.2693552209920E13" * t2200 + .CONVERT."0.1648238592000E13" &
1884 t3486 = .CONVERT."0.153345230438400E15" * t2200 + .CONVERT."0.103140374937600E15" * t2202 &
2145 * t2200 - .CONVERT."0.5967652007116800E16" * t2202 - .CONVERT."0.5967652007116800E16" &
2425 * t2198 - .CONVERT."0.430048086102835200E18" * t2200 - .CONVERT."0.333373821027287040E18" &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_m11.c2259 t2200 = t127 * t251; in func_ferr()
4420 t2200 = t17 * t727; in func_pol()
4421 t2202 = t353 * t2200 * t360; in func_pol()
4444 t2239 = t353 * t2200 * t685; in func_pol()
5347 t5100 = t353 * t2200 * t1377; in func_pol()
5348 t5102 = t353 * t2200 * t1381; in func_pol()
5586 t5851 = t1218 * t2200 * t1220; in func_pol()
5620 t5917 = t1218 * t2200 * t1887; in func_pol()
5655 t5995 = t353 * t2200 * t2193; in func_pol()
5846 t6636 = t1218 * t2200 * t2771; in func_pol()
[all …]
H A Dmgga_x_tm.c2127 double t2193, t2196, t2197, t2200, t2203, t2206, t2207, t2210; in func_ferr() local
2999 t2200 = t257 * t577; in func_ferr()
3024 …t2293 = 0.4e1 * t256 * t577 + 0.36e2 * t2200 + 0.18e2 * t2203 + 0.2e1 * t2283 + 0.2e1 * t2285 + 0.… in func_ferr()
3037 …t617 + 0.108e3 * t466 * t2193 - 0.648e3 * t1176 * t2197 - 0.24e2 * t474 * t2200 - 0.12e2 * t474 * … in func_ferr()
3589 … t1166 * t2193 - 0.1296e4 * t3894 * t2197 - 0.48e2 * t1160 * t2200 - 0.48e2 * t1181 * t2200 - 0.48… in func_ferr()
3614 …* t5939 + 0.24e2 * t1502 * t582 + 0.12e2 * t587 * t1559 + 0.48e2 * t318 * t2200 + 0.6e1 * t2257 * … in func_ferr()
3765 …* t1181 * t2723 - 0.24e2 * t1665 * t2200 + 0.108e3 * t1668 * t2193 + 0.324e3 * t1668 * t2222 - 0.2… in func_ferr()
3811 … t8379 - 0.12e2 * t474 * t8404 + 0.54e2 * t466 * t8319 - 0.72e2 * t1926 * t2200 + 0.31444112345679… in func_ferr()
4122 double t2197, t2200, t2205, t2207, t2210, t2212, t2213, t2214; in func_pol() local
5521 t2200 = t244 * t715; in func_pol()
[all …]
H A Dmgga_x_task.c126 double t2192, t2194, t2197, t2198, t2200, t2202, t2205, t2208; in func_unpol() local
1048 t2200 = t787 * t219; in func_unpol()
1075 …t2299 = t10 * (0.10e2 * t42 * t206 * t822 * t86 - 0.8e1 * t2216 * t165 + t2198 * t86 + t2200 * t86… in func_unpol()
1438 …t6372 = -0.160e3 * t2198 * t165 * t223 - 0.160e3 * t2200 * t165 * t223 - 0.320e3 * t2205 * t165 * … in func_unpol()
3140 double t2200, t2204, t2211, t2214, t2217, t2219, t2220, t2221; in func_pol() local
4550 t2200 = t8 * t2198 * t810; in func_pol()
4551 …- t2186 / 0.2e1 - t2190 / 0.2e1 - t2194 + t2196 / 0.9e1 + 0.7e1 / 0.6e1 * t2200 - t2069 / 0.6e1 - … in func_pol()
4623 …/ 0.9e1 * t2166 - t2174 + t2182 / 0.3e1 - t2194 + 0.2e1 / 0.9e1 * t2196 - t2200 / 0.3e1 + t2129 / … in func_pol()
6332 …t6345 = -0.3e1 / 0.2e1 * t2186 - 0.3e1 / 0.2e1 * t2190 - t2193 + t2614 + 0.7e1 / 0.2e1 * t2200 - t… in func_pol()
6342 …- t2190 - 0.4e1 / 0.3e1 * t2193 + 0.2e1 / 0.3e1 * t2196 + 0.5e1 / 0.3e1 * t2200 - t2069 / 0.3e1 - … in func_pol()
[all …]
H A Dmgga_x_gx.c118 double t2177, t2184, t2185, t2188, t2191, t2194, t2197, t2200; in func_unpol() local
976 t2200 = t1812 * t10; in func_unpol()
983 …e4 * t2194 * t457 - 0.125e3 / 0.1944e4 * t2197 * t1006 + 0.5e1 / 0.36e2 * t2200 * t150 - 0.250e3 /… in func_unpol()
1008 …3e3 * t2197 * t1090 + 0.125e3 / 0.486e3 * t2185 * t1090 - 0.5e1 / 0.9e1 * t2200 * t182 - 0.250e3 /… in func_unpol()
1308 double t2176, t2187, t2200, t2205, t2210, t2219, t2222, t2258; in func_ferr() local
2101 …t2200 = 0.55e2 / 0.81e2 * t373 * t658 + 0.25e2 / 0.81e2 * t2176 * t202 + 0.5e1 / 0.72e2 * t1810 * … in func_ferr()
2109 … -t650 * t477 / 0.6e1 - t278 * t1056 - 0.3e1 / 0.8e1 * t68 * t69 * (t2277 + t2200 + t2172 + t2153); in func_ferr()
H A Dmgga_x_tpss.c1850 double t2186, t2188, t2190, t2193, t2195, t2197, t2198, t2200; in func_ferr() local
2752 …t2200 = 0.9e1 / 0.16e2 * t312 * t1590 - 0.75e2 / 0.128e3 * t2186 - 0.9e1 / 0.64e2 * t2188 - 0.81e2… in func_ferr()
2755 …84e3 / 0.2025e4 * t260 * t826 + 0.292e3 / 0.2025e4 * t70 * t2200 - 0.73e2 / 0.97200e5 * t2200 * t8… in func_ferr()
3168 t5083 = t2200 * t190; in func_ferr()
3170 …t5134 = 0.584e3 / 0.2025e4 * t260 * t1808 + 0.292e3 / 0.2025e4 * t185 * t2200 + t1762 * t243 / 0.1… in func_ferr()
3286 …085 * t324 + 0.292e3 / 0.675e3 * t743 * t826 + 0.292e3 / 0.675e3 * t260 * t2200 + 0.292e3 / 0.2025… in func_ferr()
3308 …46 * t6413 - 0.73e2 / 0.50e2 * t568 * t2304 + 0.584e3 / 0.2025e4 * t324 * t2200 + 0.292e3 / 0.2025… in func_ferr()
3508 double t2178, t2179, t2182, t2187, t2189, t2191, t2197, t2200; in func_pol() local
4939 t2200 = t115 * t278; in func_pol()
4940 t2201 = 0.1e1 / t2200; in func_pol()
[all …]
H A Dmgga_k_pc07.c136 double t2185, t2190, t2194, t2195, t2197, t2198, t2200, t2201; in func_unpol() local
1374 t2200 = t31 * t109; in func_unpol()
1375 t2201 = t741 * t2200; in func_unpol()
1588 …t2927 = t2914 * t653 / 0.729e3 - 0.5e1 / 0.6e1 * t1874 * t189 + 0.25e2 / 0.72e2 * t2919 * t2200 - … in func_unpol()
1638 t3103 = t2200 * t3102; in func_unpol()
2503 …2 / 0.2e1 * t5423 * t2205 - 0.13e2 / 0.3888e4 * t2194 * t2200 - 0.13e2 / 0.3888e4 * t2197 * t2200 … in func_unpol()
3046 …2922 * t10805 - 0.125e3 / 0.243e3 * t5313 * t5314 * t7508 - t2200 * t10813 / 0.4374e4 - t2200 * t1… in func_unpol()
3050 ….1296e4 - 0.13e2 / 0.3888e4 * t3112 * t2200 + 0.8e1 / 0.6561e4 * t7396 * t3102 - 0.13e2 / 0.3888e4… in func_unpol()
3707 …t12449 * t3079 - 0.25e2 / 0.432e3 * t9049 * t2200 - t15086 * t823 / 0.729e3 + t15967 * t742 / 0.64… in func_unpol()
4060 double t2191, t2195, t2199, t2200, t2202, t2204, t2208, t2209; in func_ferr() local
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_mpbe.c789 double t2163, t2168, t2171, t2183, t2190, t2197, t2200, t2207; in func_pol() local
1797 t2200 = t439 * t1967 * t1055; in func_pol()
1800 …2 * t1930 * t440 * t487 * t326 + 0.2e1 / 0.27e2 * t2197 + 0.7e1 / 0.9e1 * t2200 + t931 * t440 * t4… in func_pol()
1822 … + t462 * t2221 * t1043 - t2183 / 0.3e1 - t2190 / 0.6e1 + t2197 / 0.9e1 - t2200 / 0.3e1 - t2207 / … in func_pol()
H A Dgga_x_pbeint.c771 double t2189, t2198, t2200, t2203, t2210, t2217, t2232, t2238; in func_pol() local
1842 t2200 = t838 * t843 * t964; in func_pol()
1847 …t2238 = 0.2e1 / 0.27e2 * t2200 + 0.7e1 / 0.9e1 * t2203 + t838 * t370 * t425 * t264 / 0.9e1 - t2210… in func_pol()
1876 …/ 0.3e1 - t2180 / 0.2e1 + t2183 / 0.9e1 + t2186 / 0.3e1 + t2189 / 0.9e1 + t2200 / 0.9e1 - t2203 / … in func_pol()
H A Dgga_x_cap.c900 double t2188, t2195, t2197, t2200, t2207, t2232, t2252, t2254; in func_pol() local
1950 t2200 = t337 * t1858 * t919; in func_pol()
1952 …t2232 = 0.7e1 / 0.9e1 * t2200 + t814 * t338 * t391 * t234 / 0.9e1 - t2207 / 0.9e1 + 0.4e1 / 0.27e2… in func_pol()
1974 …/ 0.3e1 + t2171 / 0.9e1 - t2181 / 0.3e1 - t2188 / 0.6e1 + t2195 / 0.9e1 - t2200 / 0.3e1 - t2207 / … in func_pol()
H A Dgga_x_b86.c670 double t2167, t2170, t2200, t2203, t2205, t2208, t2218, t2224; in func_pol() local
1651 …t2200 = -t1925 / 0.2e1 - 0.3e1 / 0.8e1 * t7 * t38 * t2170 - 0.20e2 / 0.27e2 * t1424 - 0.20e2 / 0.2… in func_pol()
1652 … * t842 - 0.6e1 * t846 - 0.6e1 * t850 - 0.2e1 * t855 - 0.3e1 / 0.2e1 * t895 + t9 * (t2119 + t2200); in func_pol()
H A Dgga_x_q2d.c1121 double t2192, t2193, t2194, t2195, t2196, t2197, t2198, t2200; in func_pol() local
2645 t2200 = 0.1e1 / t438 / t190; in func_pol()
2646 t2201 = t2198 * t2200; in func_pol()
3420 t5741 = t2197 * t2200; in func_pol()
3583 … * t6637 * t686 / 0.512e3 - 0.5e1 / 0.25165824e8 * t186 * t1114 * t2432 * t2200 - t6646 + 0.19e2 /… in func_pol()
H A Dgga_x_bpccac.c1438 double t2196, t2197, t2200, t2204, t2207, t2212, t2223, t2230; in func_pol() local
2570 t2200 = t2196 * t428; in func_pol()
2587 …91 / 0.3e1 - t471 * t944 / 0.4e1 - 0.2e1 * t1266 * t2197 + 0.2e1 * t466 * t2200 + t1797 * t319 - 0… in func_pol()
3129 …t5159 = t2773 * t936 / 0.2e1 + 0.4e1 * t1263 * t2200 - 0.19e2 / 0.9e1 * t310 * t446 * t24 * t44 + … in func_pol()
3214 …t5550 = t774 * t2191 + 0.6e1 * t1801 * t2200 - t774 * t2207 + 0.3e1 / 0.8e1 * t471 * t2445 - 0.3e1… in func_pol()
H A Dgga_x_sfat_pbe.c3274 double t2193, t2195, t2198, t2200, t2203, t2205, t2209, t2210; in func_pol() local
4752 t2200 = t21 * t2198 * t1959; in func_pol()
4768 …86394435318686447e-2 * t2244 * t741 - 0.11376118306787859348e-5 * t2250 * t2200 - 0.35197514624600… in func_pol()
4818 …- 0.7e1 / 0.54e2 * t45 * t502 * t92 - 0.28440295766969648370e-6 * t2405 * t2200 - 0.87993786561501… in func_pol()
4826 …0337088604327125e-5 * t2192 * t2195 + 0.30336315484767624928e-5 * t2192 * t2200 + 0.93860038998934… in func_pol()
6329 …t2200 - 0.17154782255507086375e-3 * t6103 * t2212 - 0.26538300808623373146e-3 * t6103 * t2217 + 0.… in func_pol()
6382 …t6228 * t2200 - 0.35197514624600441042e-5 * t6228 * t2205 - 0.93815215459804378613e-4 * t6235 * t2… in func_pol()
6388 …2533018863628756e-3 * t6413 * t2217 + 0.26544276049171671811e-4 * t6419 * t2200 + 0.82127534124067… in func_pol()
6789 …0337088604327125e-5 * t8982 * t2195 + 0.30336315484767624928e-5 * t8982 * t2200 + 0.93860038998934… in func_pol()
6834 …0668023137376267e-6 * t9254 * t3544 - 0.28440295766969648370e-6 * t9230 * t2200 - 0.45232336025262… in func_pol()
H A Dgga_x_ev93.c929 double t2187, t2189, t2190, t2192, t2194, t2195, t2197, t2200; in func_pol() local
2345 t2200 = t155 * t2157 * t165; in func_pol()
2361 …t2285 = -t2197 / 0.2e1 + 0.3e1 / 0.2e1 * t2200 + 0.3e1 / 0.2e1 * t2203 + t2206 / 0.2e1 + 0.3e1 / 0… in func_pol()
2422 … 0.5e1 / 0.12e2 * t2190 - t2194 / 0.2e1 - t2197 / 0.4e1 + 0.3e1 / 0.8e1 * t2200 + 0.3e1 / 0.8e1 * … in func_pol()
H A Dgga_c_ft97.c4943 t2200 = t393 * t825 * t147; in func_ferr()
11704 t2200 = t1642 * t143; in func_pol()
12237 t3320 = t2200 * t2984; in func_pol()
14789 t9017 = t2200 * t7943; in func_pol()
16284 t12330 = t2200 * t11374; in func_pol()
16286 t12333 = t2200 * t11157; in func_pol()
16318 t12374 = t2200 * t11146; in func_pol()
18211 t17014 = t2200 * t15649; in func_pol()
18215 t17020 = t2200 * t15658; in func_pol()
18226 t17036 = t2200 * t15636; in func_pol()
[all …]
H A Dgga_x_pbetrans.c1330 double t2200, t2206, t2209, t2220, t2223, t2226, t2229, t2232; in func_pol() local
2419 t2200 = t2159 * t86; in func_pol()
2429 …t2255 = 0.15487500000000000000e0 * t2157 * t2200 - 0.51625000000000000001e-1 * t461 * t2165 * t486… in func_pol()
3139 …37500000000000004e-1 * t5931 * t2220 - 0.46462500000000000000e0 * t5943 * t2200 + 0.82600000000000… in func_pol()
H A Dgga_k_meyer.c1312 double t2194, t2195, t2196, t2200, t2201, t2202, t2203, t2204; in func_pol() local
2448 t2200 = t532 * t2188 * t810; in func_pol()
2449 t2201 = t2200 / 0.2304e4; in func_pol()
3075 …523 * t3337 / 0.331776e6 - t2182 / 0.20736e5 - t2193 / 0.10368e5 + 0.5e1 / 0.6912e4 * t2200 - t813; in func_pol()
H A Dgga_x_lg93.c1007 double t2198, t2199, t2200, t2201, t2202, t2203, t2204, t2206; in func_pol() local
2611 t2200 = t1398 * t2199; in func_pol()
2612 t2201 = 0.10405833333333333333e-10 * t2200; in func_pol()
3441 … 0.24350299324000000000e-1 * t2194 + t6491 + 0.20811666666666666666e-10 * t2200 + t6493 - 0.249740… in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F323 t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & local
1467 t2200 = t233*t800
1468 t2201 = t327*t2200
1561 t1597*t1598*t2200 + 0.120e2_dp*t102*t327*t375*t800 + 0.1551407408e4_dp &
1565 *t307*t949*t958 - 0.360e2_dp*t1616*t1617*t2200 &
3102 t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & local
4243 t2200 = t233*t800
4244 t2201 = t327*t2200
4337 t1597*t1598*t2200 + 0.120e2_dp*t102*t327*t375*t800 + 0.1551407408e4_dp &
4341 *t307*t949*t958 - 0.360e2_dp*t1616*t1617*t2200 &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F323 t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & local
1467 t2200 = t233*t800
1468 t2201 = t327*t2200
1561 t1597*t1598*t2200 + 0.120e2_dp*t102*t327*t375*t800 + 0.1551407408e4_dp &
1565 *t307*t949*t958 - 0.360e2_dp*t1616*t1617*t2200 &
3102 t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, t2257, & local
4243 t2200 = t233*t800
4244 t2201 = t327*t2200
4337 t1597*t1598*t2200 + 0.120e2_dp*t102*t327*t375*t800 + 0.1551407408e4_dp &
4341 *t307*t949*t958 - 0.360e2_dp*t1616*t1617*t2200 &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c1333 double t2182, t2183, t2185, t2186, t2195, t2200, t2201, t2202; in func_pol() local
2725 t2200 = t230 * t511 * t377; in func_pol()
2726 t2201 = t2200 / 0.4e1; in func_pol()
2819 t2364 = t2200 / 0.2e1; in func_pol()
3313 …* t2179 - 0.3e1 / 0.2e1 * t2182 - 0.3e1 / 0.2e1 * t2185 + 0.3e1 / 0.4e1 * t2200 + t2900 * t2091 / … in func_pol()

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