/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_acgga.c | 6844 t5942 = t504 * t1664; in func_pol() 6846 t5945 = t5942 * t5944; in func_pol() 7173 t6651 = t5942 * t6650; in func_pol() 7180 t6661 = t5942 * t6660; in func_pol() 7228 t6745 = t5942 * t6744; in func_pol() 7251 t6785 = t5942 * t6784; in func_pol() 7414 t7257 = t5942 * t7256; in func_pol() 10882 t23333 = t5942 * t3215 * t6659; in func_pol() 11036 t23675 = t5942 * t3215 * t6783; in func_pol() 12178 t27295 = t5942 * t3215 * t7255; in func_pol() [all …]
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H A D | gga_x_hjs.c | 8224 t5942 = 0.1e1 / t2301 / t465; in func_pol() 8225 t5943 = t5942 * t467; in func_pol() 9061 t8093 = t1206 * t5942; in func_pol() 10401 t12330 = t1514 * t5942; in func_pol() 11863 t17458 = t5942 * t896; in func_pol() 13652 t24680 = t5942 * t1203; in func_pol() 15531 t35504 = t3994 * t5942; in func_pol() 15924 t37775 = t4315 * t5942; in func_pol() 16088 t38615 = t4324 * t5942; in func_pol() 16992 t46280 = t4990 * t5942; in func_pol() [all …]
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H A D | gga_c_pbeloc.c | 2165 double t5941, t5942, t5943, t5945, t5946, t5947, t5949, t5951; in func_pol() local 5765 t5942 = t5614 * t420; in func_pol() 5766 t5943 = t4365 * t5942; in func_pol() 9162 t20593 = t4247 * t13501 * t5942; in func_pol() 9196 t20687 = 0.32898681336964528730e-1 * t441 * t13483 * t5942; in func_pol() 9548 t22374 = 0.65797362673929057460e-1 * t441 * t15734 * t5942; in func_pol() 10143 t24347 = t441 * t19389 * t5942; in func_pol() 10200 t24497 = t441 * t20151 * t5942; in func_pol()
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H A D | gga_c_revtca.c | 1388 double t5938, t5940, t5942, t5944, t5948, t5951, t5955, t5957; in func_pol() local 4414 t5942 = t1622 * t193 * t5940; in func_pol() 4420 …2 * t5934 + 0.25004602837392000000e2 * t5938 + 0.12502301418696000000e2 * t5942 - 0.83348676124639… in func_pol() 4702 …669735224928000000e2 * t5934 + 0.16669735224928000000e2 * t5938 + 0.41674338062319999999e1 * t5942; in func_pol()
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H A D | gga_c_ft97.c | 13362 t5942 = t604 * t1384; in func_pol() 13363 t5943 = t5942 * t379; in func_pol() 13725 t6695 = t5942 * t925; in func_pol() 21003 t23985 = t5942 * t1647; in func_pol() 21023 t24045 = t5942 * t1651; in func_pol() 21025 t24049 = t5942 * t1643; in func_pol() 22296 t26995 = t5942 * t3052; in func_pol() 22298 t26999 = t5942 * t3434; in func_pol() 23680 t30266 = t5942 * t4462; in func_pol() 23682 t30270 = t5942 * t4454; in func_pol() [all …]
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H A D | gga_x_gg99.c | 3756 double t5937, t5938, t5939, t5940, t5942, t5943, t5944, t5946; in func_pol() local 7319 t5942 = t169 * t5940 * t1103; in func_pol() 7320 t5943 = t1533 * t5942; in func_pol() 9251 t17203 = t4195 * t5942; in func_pol() 9404 …t18872 = -0.4e1 / 0.81e2 * t1533 * t169 * t18852 * t1086 - 0.2e1 / 0.9e1 * t4332 * t5942 - 0.2e1 /… in func_pol() 9686 … 0.4e1 / 0.9e1 * t17058 * t1545 - 0.2e1 / 0.9e1 * t5924 * t5937 - t5924 * t5942 / 0.3e1 + 0.8e1 / … in func_pol()
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H A D | gga_c_zvpbeint.c | 2541 double t5942, t5943, t5944, t5945, t5946, t5947, t5948, t5949; in func_pol() local 6750 t5942 = 0.3e1 / 0.64e2 * t5941; in func_pol() 6785 …t5986 = t5934 + t5935 - t5936 - t5937 + t5938 - t5939 + t5940 - t5942 + t5946 - t5948 + t5950 + t5… in func_pol() 11036 …v4rhosigma3[1] = t5934 + t5935 - t5936 - t5937 + t5938 - t5939 + t5940 - t5942 + t5946 - t5948 + t… in func_pol() 11266 …v4rhosigma3[11] = t5934 + t5935 - t5936 - t5937 + t5938 - t5939 + t5940 - t5942 + t5946 - t5948 + … in func_pol()
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H A D | gga_x_sfat_pbe.c | 196 double t5891, t5896, t5898, t5909, t5925, t5930, t5942, t5944; in func_unpol() local 1576 …t5942 = -0.15360348460837997165e-5 * t5909 * t5834 - 0.99063485541477677668e-1 * t139 * t109 * t23… in func_unpol() 1577 …1 + 0.30267156167889275480e-7 * t5898 * t5843 + 0.14046909189077594991e-6 * t5898 * t5846 + t5942); in func_unpol()
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H A D | gga_c_zvpbeloc.c | 2282 double t5930, t5935, t5936, t5937, t5939, t5940, t5941, t5942; in func_pol() local 5788 t5942 = t4254 * t5941; in func_pol() 5848 …9340668482264365e-1 * t5937 + t5781 - t5784 + 0.16449340668482264365e-1 * t5942 - t376 * t5979 + t… in func_pol() 5888 … * t172 - 0.65797362673929057460e-1 * t5937 + 0.65797362673929057460e-1 * t5942 - t376 * t6110 + 0… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_xc_b97mv.c | 3922 double t5936, t5938, t5940, t5942, t5943, t5945, t5947, t5948; in func_pol() local 8042 t5942 = t779 * t1212; in func_pol() 8043 t5943 = t5942 * t1218; in func_pol() 8630 t7317 = t5942 * t2228; in func_pol() 8823 t7952 = t5942 * t2586; in func_pol() 12337 …2 + 0.30000000000000000000e1 * t6606 * t4390 + 0.30000000000000000000e1 * t5942 * t5209 + 0.150000… in func_pol() 13090 …7697 + t14656 - t14659 - 0.32163958997385070134e2 * t5942 * t6016 - 0.64327917994770140268e2 * t59… in func_pol() 13096 …2 * t19066 - 0.8e1 * t19068 - 0.8e1 * t19070 - 0.60000000000000000000e1 * t5942 * t5985 + 0.964918… in func_pol() 13569 …0e3 * t5942 * t7954 + 0.30000000000000000000e1 * t502 * t2618 * t2500 + 0.12000000000000000000e2 *… in func_pol() 13712 … + 0.19298375398431042080e3 * t20520 * t2586 + 0.19298375398431042080e3 * t5942 * t8175 + t17055 +… in func_pol() [all …]
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H A D | mgga_x_mbeefvdw.c | 2950 t5942 = t952 * t5941; in func_unpol() 2951 t5943 = t5942 * t1132; in func_unpol() 11378 t5942 = t2647 * t266; in func_ferr() 11379 t5943 = t5942 * t5726; in func_ferr() 11498 t6417 = t5942 * t6416; in func_ferr() 12000 t8079 = t5942 * t7944; in func_ferr() 12482 t10015 = t5942 * t9993; in func_ferr() 13128 t12723 = t5942 * t12708; in func_ferr() 14135 t17176 = t5942 * t16565; in func_ferr() 14177 t17257 = t5942 * t16542; in func_ferr() [all …]
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H A D | mgga_k_pc07.c | 242 double t5890, t5902, t5927, t5933, t5939, t5942, t5950, t5963; in func_unpol() local 2257 t5942 = t1729 * t147; in func_unpol() 2259 …* t356 * t5689 * t1115 - 0.4704694002e2 * t5939 * t2330 + 0.784115667e1 * t5942 * t347 + 0.2613718… in func_unpol() 2554 … t7720 * t1043 + 0.136630528718856642e2 * t7724 * t1371 + 0.261371889e1 * t5942 * t482 - 0.1045487… in func_unpol() 8152 double t5931, t5938, t5942, t5948, t5952, t5956, t5961, t5966; in func_pol() local 11409 t5942 = t2076 * t1804; in func_pol() 11417 …* t656 * t1258 * t1788 - 0.97002e1 * t656 * t474 * t5938 - 0.60e2 * t84 * t5942 * t258 - 0.97002e1… in func_pol() 14628 t20175 = t244 * t5942; in func_pol() 15995 …98658926e1 * t17671 * t17635 + 0.16167e1 * t245 * t27663 - 0.60e2 * t84 * t5942 * t1044 + 0.174247… in func_pol() 16511 …704694002e2 * t30147 * t643 - 0.32334e1 * t30176 * t983 - 0.180e3 * t84 * t5942 * t1285 + 0.291006… in func_pol() [all …]
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H A D | mgga_c_tpssloc.c | 11698 t5942 = t947 * t1543; in func_pol() 20133 t27746 = t6281 * t5942; in func_pol() 36420 t115979 = 0.4e1 * t24679 * t5942; in func_pol() 36428 t115998 = 0.4e1 * t24684 * t5942; in func_pol() 36435 t116040 = t16952 * t5942 * t461; in func_pol() 37141 t119134 = 0.2e1 * t26473 * t5942; in func_pol() 37213 t119340 = t16952 * t5942 * t1002; in func_pol() 37248 t119441 = 0.2e1 * t26469 * t5942; in func_pol() 42079 t139033 = 0.2e1 * t30077 * t5942; in func_pol() 42587 t140302 = t24398 * t5942 * t1276; in func_pol() [all …]
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H A D | mgga_x_m11.c | 158 double t5919, t5942, t5965, t5989, t6014, t6039, t6062, t6086; in func_unpol() local 1358 …t5942 = -0.580800e6 * t4018 * t5919 - 0.503360e6 * t4021 * t5919 - 0.33600e5 * t4073 * t5919 - 0.1… in func_unpol() 1377 … * t58 * (-0.15766086240000000000e-1 * t242 * t65 * t245 * t3236 + t75 * (t5942 + t5965 + t5989 + … in func_unpol() 3104 double t5936, t5938, t5940, t5942, t5945, t5951, t5954, t5957; in func_pol() local 5633 t5942 = t5003 * t354 * t5940; in func_pol() 5643 …t5970 = t5934 / 0.3e1 - t5938 / 0.6e1 - t5098 - t4944 + t5942 / 0.9e1 - t5945 / 0.3e1 - t5112 - t5… in func_pol() 7819 … t5097 - 0.2e1 * t5100 - t5102 - 0.2e1 * t5105 - t10418 + 0.2e1 / 0.9e1 * t5942 - 0.2e1 / 0.3e1 * … in func_pol() 8262 …t17996 = -t5938 / 0.2e1 - t7399 - t7404 + t7409 - t12419 - t7577 - t10418 + t5942 / 0.3e1 - 0.2e1 … in func_pol()
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H A D | mgga_x_vt84.c | 3505 double t5942, t5945, t5950, t5951, t5971, t5984, t6015, t6016; in func_ferr() local 5440 t5942 = t350 * t1332; in func_ferr() 5442 … t2090 * t472 + 0.93973991673819576616e-1 * t5940 - 0.73e2 / 0.259200e6 * t5942 * t1334 + 0.219e3 … in func_ferr() 5686 …8800e6 * t2093 * t1604 + 0.73e2 / 0.194400e6 * t2093 * t1601 - 0.73e2 / 0.259200e6 * t5942 * t1679; in func_ferr() 5858 t9183 = t5942 * t10; in func_ferr() 6044 …20 * t255 / 0.12e2 - 0.2e1 / 0.9e1 * t1036 * t609 - 0.73e2 / 0.259200e6 * t5942 * t2477 + 0.73e2 /… in func_ferr() 6249 t12901 = t5942 * t126; in func_ferr() 6342 …/ 0.100e3 * t643 * t827 + 0.73e2 / 0.129600e6 * t7780 * t939 - 0.73e2 / 0.259200e6 * t5942 * t3448; in func_ferr() 6458 …454894154e0 * t15282 + 0.292e3 / 0.675e3 * t15284 + 0.957906e6 / 0.25e2 * t5942 * t4143 + 0.387951… in func_ferr()
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H A D | mgga_c_vsxc.c | 3378 double t5942, t5957, t5958, t5967, t5991, t5997, t5998, t5999; in func_pol() local 7277 t5942 = t5941 * t333; in func_pol() 7280 ….50000000000000000001e0 * t305 * t2065 - 0.50000000000000000001e0 * t24 * t5942 - 0.16081979498692… in func_pol() 11466 …0000000000000000000e1 * t287 * t5942 - 0.50000000000000000001e0 * t1012 * t2065 - 0.10000000000000… in func_pol() 11777 …8245938496077605201e2 * t4281 * t6823 - 0.15000000000000000000e1 * t591 * t5942 - 0.48245938496077… in func_pol() 11780 …5000000000000000000e1 * t1707 * t2065 - 0.15000000000000000000e1 * t583 * t5942 - 0.48245938496077… in func_pol()
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H A D | mgga_x_edmgga.c | 1803 double t5859, t5872, t5882, t5896, t5918, t5926, t5942, t5955; in func_ferr() local 2990 t5942 = t56 * t2033; in func_ferr() 2991 …7139506171188e1 * t256 * t633 * t286 - 0.35409739445157315668e-1 * t295 * t5942 * t88 + 0.16615495… in func_ferr() 3161 …49459119928e1 * t300 * t1597 * t1795 - 0.70819478890314631336e-1 * t295 * t5942 * t127 - 0.1246162… in func_ferr() 3200 …624729559964e1 * t300 * t473 * t2250 - 0.35409739445157315668e-1 * t295 * t5942 * t149 - 0.3540973… in func_ferr()
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H A D | mgga_x_pbe_gx.c | 2672 double t5882, t5883, t5932, t5933, t5940, t5942, t6007, t6032; in func_pol() local 5734 …t5942 = 0.10e2 / 0.3e1 * t2114 * t686 + 0.50e2 / 0.27e2 * t5852 * t695 - 0.20e2 / 0.9e1 * t720 * t… in func_pol() 5735 …t6007 = t4434 - 0.3e1 / 0.8e1 * t8 * t76 * (t5942 + t5849) * t115 - 0.16248784000000000000e-1 * t6… in func_pol()
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H A D | mgga_c_b88.c | 2833 double t5942, t5945, t5948, t5949, t5953, t5957, t5961, t5964; in func_pol() local 7228 t5942 = t5938 * t1060; in func_pol() 7248 …00000000000000000e-1 * t1565 * t5939 - 0.17640000000000000000e0 * t1565 * t5942 + 0.70000000000000… in func_pol() 9616 …00000000000000000e-1 * t4812 * t5939 + 0.11760000000000000000e0 * t4812 * t5942 + 0.14000000000000… in func_pol()
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H A D | mgga_x_2d_prhg07.c | 217 double t5932, t5936, t5937, t5939, t5940, t5942, t5943, t5944; in func_unpol() local 1930 t5942 = t34 * t880 * t5542; in func_unpol() 1931 t5943 = 0.3e1 / 0.8e1 * t5942; in func_unpol() 2034 t6247 = 0.9e1 / 0.8e1 * t5942; in func_unpol() 2107 …/ 0.8e1 * t5931 + 0.9e1 / 0.8e1 * t5936 + 0.3e1 * t5939 - 0.9e1 / 0.4e1 * t5942 - 0.9e1 / 0.4e1 * … in func_unpol()
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H A D | mgga_x_mn12.c | 3779 double t5942, t5943, t5945, t5948, t5951, t5955, t5956, t5979; in func_pol() local 6028 t5942 = t8 * t385 * t2240; in func_pol() 6029 t5943 = t5942 / 0.4e1; in func_pol() 8114 t14625 = 0.3e1 / 0.4e1 * t5942; in func_pol() 8289 …t15782 = -0.3e1 / 0.4e1 * t6638 - t5939 - t5942 + t5945 / 0.2e1 + t5948 + t5951 / 0.2e1 - 0.2e1 / … in func_pol()
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H A D | mgga_c_bc95.c | 2422 double t5937, t5938, t5939, t5940, t5941, t5942, t5943, t5944; in func_pol() local 6602 t5942 = 0.15833226851851851851e-1 * t5941; in func_pol() 6604 …99 - t5906 + t5909 + t5912 - t5914 - t5919 + t5927 - t5930 + t5933 - t5936 - t5939 + t5942 - t5943; in func_pol() 10150 …5925925925924e0 * t6114 + t20004 + t20005 + t20006 - t5930 + t5933 - t5936 - t5939 + t5942 - t5943; in func_pol()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 384 t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 local 2566 t5942 = 0.1111111112e0_dp*t5940*t196 2582 … - 0.1111111112e0_dp*t5938 - t5942 - 0.2000000002e1_dp*t5944 - 0.5555555558e-1_dp & 2791 t722*t177*t65 - t5942 + 0.8999999998e1_dp*t2124*t59*t177* & 3163 t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 local 5342 t5942 = 0.1111111112e0_dp*t5940*t196 5358 … - 0.1111111112e0_dp*t5938 - t5942 - 0.2000000002e1_dp*t5944 - 0.5555555558e-1_dp & 5567 t722*t177*t65 - t5942 + 0.8999999998e1_dp*t2124*t59*t177* &
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 384 t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 local 2566 t5942 = 0.1111111112e0_dp*t5940*t196 2582 … - 0.1111111112e0_dp*t5938 - t5942 - 0.2000000002e1_dp*t5944 - 0.5555555558e-1_dp & 2791 t722*t177*t65 - t5942 + 0.8999999998e1_dp*t2124*t59*t177* & 3163 t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 local 5342 t5942 = 0.1111111112e0_dp*t5940*t196 5358 … - 0.1111111112e0_dp*t5938 - t5942 - 0.2000000002e1_dp*t5944 - 0.5555555558e-1_dp & 5567 t722*t177*t65 - t5942 + 0.8999999998e1_dp*t2124*t59*t177* &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_pmgb06.c | 1660 double t5938, t5939, t5940, t5942, t5943, t5944, t5946, t5947; in func_pol() local 5533 t5942 = 0.8e1 / 0.81e2 * t4914 * t5940; in func_pol() 5546 …t5958 = t5942 - t5946 + 0.10821041362364843377e0 * t5948 + t5099 + t5101 + t5103 - t5950 + t5951 +… in func_pol() 5950 …t6664 = -t5911 - t5914 + t5917 - t5922 + t5927 + t5932 - t5937 + t5942 - t5946 + t5607 + 0.8e1 / 0… in func_pol()
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