| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 1022 double t6090, t6096, t6110, t6117, t6123, t6137, t6140, t6143; in func_pol() local
3377 t6143 = t23 * t1296 * t288; in func_pol()
3391 …+ 0.32e2 / 0.243e3 * t6137 + 0.4e1 / 0.27e2 * t6140 + 0.112e3 / 0.729e3 * t6143 - 0.16e2 / 0.81e2 … in func_pol()
3547 … * t6117 + 0.16e2 / 0.243e3 * t6137 + t6140 / 0.27e2 + 0.28e2 / 0.243e3 * t6143 - 0.8e1 / 0.81e2 *… in func_pol()
3930 … 0.56e2 / 0.243e3 * t6117 + 0.16e2 / 0.729e3 * t6137 + 0.56e2 / 0.729e3 * t6143 - 0.8e1 / 0.243e3 … in func_pol()
4192 …/ 0.243e3 * t6959 + t5929 - 0.28e2 / 0.243e3 * t6117 + 0.28e2 / 0.729e3 * t6143 + 0.2e1 * t1484 * … in func_pol()
|
| H A D | lda_c_ml1.c | 502 double t6136, t6137, t6139, t6140, t6142, t6143, t6144, t6145; in func_pol() local
2787 t6143 = 0.40870943988360452800e-1 * t6142; in func_pol()
2794 …+ 0.95365535972841056533e-1 * t6137 + 0.40870943988360452800e-1 * t6140 + t6143 - 0.12261283196508… in func_pol()
4037 …924794762203760e0 * t11974 + 0.30653207991270339600e-1 * t11978 + t6135 + t6143 - 0.81741887976720… in func_pol()
|
| H A D | lda_xc_ksdt.c | 2536 double t6136, t6137, t6140, t6143, t6144, t6147, t6149, t6151; in func_pol() local
6998 t6143 = t528 * t1629; in func_pol()
6999 t6144 = t527 * t6143; in func_pol()
7690 t7779 = t1024 * t6143; in func_pol()
11130 …4 * t529 * t534 - t17699 + t6112 * t1959 * t534 + 0.3e1 / 0.2e1 * t1935 * t6143 * t534 + 0.2e1 / 0… in func_pol()
11152 …28e2 / 0.27e2 * t17757 + 0.2e1 * t3281 * t16748 + 0.3e1 / 0.2e1 * t1955 * t6143 * t534 + t130 * t1… in func_pol()
13730 …t27091 = 0.3e1 / 0.4e1 * t3300 * t6143 * t534 + t17989 * t1047 / 0.2e1 + t27070 / 0.2e1 + t27074 -… in func_pol()
16029 …78 + t11064 * t1959 * t534 / 0.2e1 + t3920 * t6143 * t534 / 0.4e1 - 0.3e1 * t26669 * t11396 + t392… in func_pol()
|
| H A D | lda_c_pmgb06.c | 1678 double t6143, t6144, t6145, t6146, t6148, t6149, t6150, t6151; in func_pol() local
5674 t6143 = t1307 * t2300; in func_pol()
5675 t6144 = t6143 * t317; in func_pol()
9091 t14808 = t6143 * t999; in func_pol()
9151 t14966 = t6143 * t1004; in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tm.c | 4271 double t6143, t6146, t6149, t6152, t6155, t6158, t6167, t6182; in func_pol() local
7120 t6143 = t5113 * t428; in func_pol()
7134 …55 * t1904 + 0.75465869629629629630e0 * t1356 * t6140 + 0.324e3 * t1068 * t6143 + 0.108e3 * t1068 … in func_pol()
7150 …* t6193 + 0.6e1 * t5256 * t431 + 0.12e2 * t4568 * t544 - 0.324e3 * t681 * t6143 - 0.108e3 * t681 *… in func_pol()
9109 … 0.12577644938271604938e0 * t4674 * t65 * t553 + 0.324e3 * t2923 * t6143 + 0.324e3 * t2926 * t6143; in func_pol()
9146 … - 0.324e3 * t681 * t17346 + 0.648e3 * t2241 * t17363 - 0.324e3 * t2254 * t6143 - 0.324e3 * t2870 … in func_pol()
9849 … - 0.324e3 * t681 * t20904 + 0.648e3 * t2241 * t20917 - 0.648e3 * t2870 * t6143 - 0.216e3 * t2870 … in func_pol()
9857 …77644938271604938e0 * t5860 * t65 * t553 + 0.648e3 * t4068 * t6143 + 0.648e3 * t4052 * t6143 + 0.3… in func_pol()
10098 … * t4764 * t21634 + 0.1944e4 * t4761 * t21634 - 0.162e3 * t14106 * t1717 - 0.972e3 * t3578 * t6143; in func_pol()
10112 …t3525 * t3706 * t1915 * t444 - 0.61127354400000000000e2 * t3525 * t1357 * t6143 - 0.20375784800000… in func_pol()
[all …]
|
| H A D | mgga_xc_b98.c | 278 double t6129, t6131, t6134, t6137, t6139, t6140, t6143, t6146; in func_unpol() local
2465 t6143 = t1004 * t1354 * t5785; in func_unpol()
10517 t6143 = t445 * t691; in func_pol()
10518 t6144 = t6143 * t1647; in func_pol()
11661 t8356 = t6143 * t2531; in func_pol()
12795 t10171 = t6143 * t3024; in func_pol()
16814 t22859 = t6143 * t6884; in func_pol()
17587 t28853 = t6143 * t698; in func_pol()
18439 t34271 = t6143 * t10174; in func_pol()
19364 t39191 = t6143 * t950; in func_pol()
[all …]
|
| H A D | hyb_mgga_x_js18.c | 242 double t6130, t6131, t6132, t6133, t6138, t6139, t6140, t6143; in func_unpol() local
2269 t6143 = t5033 * t505; in func_unpol()
8715 double t6143, t6152, t6161, t6162, t6165, t6167, t6168, t6169; in func_pol() local
12352 t6143 = t57 * t63; in func_pol()
12353 …t6152 = 0.6e1 / 0.25e2 * t1933 * t5883 - 0.10759796184905179200e-2 * t6142 * t6143 - 0.35684620164… in func_pol()
15519 t17990 = t6143 * t506; in func_pol()
15653 t18415 = t6143 * t454; in func_pol()
15835 t19254 = t6143 * t943; in func_pol()
21224 t53654 = t6143 * t1882; in func_pol()
21227 t53668 = t6143 * t1911; in func_pol()
[all …]
|
| H A D | mgga_x_edmgga.c | 161 double t6029, t6044, t6061, t6090, t6132, t6140, t6143, t6148; in func_unpol() local
1398 t6143 = t2454 * t2141 * t89; in func_unpol()
1401 …t6154 = 0.33190537739774681727e-3 * t6140 - 0.80361903747517469318e-3 * t6143 - 0.1205428556212762… in func_unpol()
1422 …t6363 = -0.13276215095909872691e-2 * t6140 + 0.32144761499006987729e-2 * t6143 + 0.482171422485104… in func_unpol()
1454 …t6733 = 0.53104860383639490766e-2 * t6140 - 0.12857904599602795092e-1 * t6143 - 0.1928685689940419… in func_unpol()
1461 …t6792 = -0.21241944153455796307e-1 * t6140 + 0.51431618398411180367e-1 * t6143 + 0.771474275976167… in func_unpol()
|
| H A D | mgga_x_sa_tpss.c | 4000 double t6118, t6128, t6132, t6142, t6143, t6147, t6168, t6183; in func_ferr() local
6148 t6143 = t6142 * t45; in func_ferr()
6150 …0e5 * t670 * t2304 - 0.82650536060639746532e-1 * t6143 - 0.73e2 / 0.194400e6 * t214 * (-0.7776e4 *… in func_ferr()
7668 double t6143, t6147, t6151, t6157, t6163, t6178, t6186, t6194; in func_pol() local
10744 t6143 = t900 * t1325; in func_pol()
10803 … 0.9e1 * t422 * t6137 * t79 - 0.100e3 / 0.2187e4 * t5140 * t6126 + t422 * t6143 * t79 / 0.9e1 - 0.… in func_pol()
10805 … t438 * t6486 * t440 / 0.81e2 + 0.10e2 / 0.729e3 * t5620 * t2230 - t438 * t6143 * t440 / 0.81e2 + … in func_pol()
13794 … * t12609 * t6186 + t422 * t17269 * t79 / 0.9e1 - 0.5e1 / 0.6e1 * t1303 * t6143 * t1815 - 0.5e1 / … in func_pol()
|
| H A D | mgga_x_br89.c | 3892 t6143 = t70 * t6138; in func_unpol()
3893 t6144 = t2054 * t6143; in func_unpol()
3896 t6150 = t1282 * t6143; in func_unpol()
3901 t6161 = t2044 * t6143; in func_unpol()
8446 t29556 = t9091 * t6143; in func_unpol()
11937 t48657 = t3766 * t6143; in func_unpol()
17683 t6143 = 0.3e1 * t6142; in func_ferr()
37759 t6143 = t966 * t4356; in func_pol()
37760 t6144 = t1343 * t6143; in func_pol()
38650 t7359 = t1569 * t6143; in func_pol()
[all …]
|
| H A D | mgga_x_mn12.c | 192 double t6137, t6140, t6143, t6146, t6149, t6150, t6153, t6156; in func_unpol() local
1635 t6143 = t429 * t1349; in func_unpol()
1648 …137 * t5175 + 0.400000e6 / 0.9e1 * t6140 * t5175 + 0.1600000e7 / 0.27e2 * t6143 * t5175 + 0.700000… in func_unpol()
1732 … t2667 + 0.91022222222222222218e-6 * t4192 * t2671 - 0.320000e6 / 0.9e1 * t6143 * t6961 - 0.140000… in func_unpol()
1782 …/ 0.3e1 * t6173 * t8275 + 0.16000e5 * t6140 * t8275 + 0.64000e5 / 0.3e1 * t6143 * t8275 + 0.28000e… in func_unpol()
1854 …t9872 = -0.12800e5 * t6143 * t9420 - 0.5600e4 * t6146 * t9420 - 0.800e3 * t6150 * t9420 - 0.8000e4… in func_unpol()
|
| H A D | mgga_x_m06l.c | 2932 double t6132, t6134, t6137, t6142, t6143, t6152, t6155, t6158; in func_pol() local
5597 …t6143 = -0.5e1 / 0.27e2 * t8 * t5551 * t150 * t5552 + 0.4e1 / 0.27e2 * t5559 + 0.2e1 / 0.9e1 * t55… in func_pol()
5599 …t6155 = t10 * (t5547 + t6143) + 0.4e1 / 0.9e1 * t2233 - 0.2e1 / 0.3e1 * t2237 - 0.2e1 * t2241 + 0.… in func_pol()
|
| H A D | mgga_x_mbrxh_bg.c | 296 double t6128, t6129, t6132, t6135, t6136, t6139, t6143, t6146; in func_unpol() local
2892 t6143 = t16 * t337 * t929; in func_unpol()
2910 …t6187 = -0.12e2 * t6135 * t6136 - 0.36e2 * t6120 * t6139 - 0.9e1 * t6143 * t1213 - 0.18e2 * t6146 … in func_unpol()
2947 …+ 0.2e1 * t1244 * t1226 + t6143 * t1219 / 0.6e1 - 0.3e1 * t6065 * t408 + t383 * t6303 + 0.18e2 * t… in func_unpol()
2956 …4 * t1276 + 0.18e2 * t6143 * t1299 + 0.8e1 / 0.3e1 * t6135 * t6325 - 0.36e2 * t6274 * t1302 + 0.8e… in func_unpol()
2965 … * t1291 + 0.6e1 * t1244 * t1279 - t1244 * t1268 - t389 * t6367 / 0.3e1 - t6143 * t1272 / 0.3e1 - … in func_unpol()
12036 double t6139, t6140, t6141, t6142, t6143, t6144, t6145, t6146; in func_pol() local
18602 t6143 = t848 * t6142; in func_pol()
18603 t6144 = t471 * t6143; in func_pol()
26876 t29442 = t1835 * t6143; in func_pol()
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_zvpbeint.c | 2558 double t6131, t6132, t6138, t6139, t6143, t6144, t6145, t6146; in func_pol() local
6903 t6143 = 0.69263436422725855036e2 * t262 * t607 * t1878 * t1778; in func_pol()
6926 … + 0.18e2 * t586 * t2303 - 0.6e1 * t586 * t2498 + 0.36e2 * t6207 * t509 - t6143 + t6145 + t6149 - … in func_pol()
7013 …t6510 = t6132 + t6138 - t6143 + t6145 + t6149 - t6153 + t6156 - t6159 + t6163 + t6167 - t6171 + t6… in func_pol()
7469 …1 * t2292 * t2547 + 0.9e1 * t306 * t8049 + 0.3e1 * t414 * t6218 + t6138 - t6143 + t6149 - t6153 + … in func_pol()
7551 …t8391 = t8036 + t6138 - t6143 + t8037 + t8039 + t6149 - t6153 + t6156 + t8060 - t6159 + t6163 + t6… in func_pol()
7736 … * t2296 - 0.4e1 * t3089 * t2586 + 0.4e1 * t8189 * t963 - t6125 + t6138 - t6143 + t6149 - t6153 + … in func_pol()
7848 …t9782 = -t6143 + t9274 + t6149 - t6153 + t6156 + t9284 - t6159 + t6163 + t6167 - t6171 + t6174 - t… in func_pol()
8096 …t11486 = t6138 - t6143 + t11483 - t8039 + t6149 - t6153 + t6156 + t11484 - t6159 + t6163 + t6167 -… in func_pol()
8257 …t12408 = -t6125 + t6138 - t6143 + t12404 + t6149 - t6153 + t6156 + t12405 - t6159 + t6163 + t6167 … in func_pol()
[all …]
|
| H A D | gga_c_op_g96.c | 852 double t6143, t6145, t6147, t6151, t6153, t6158, t6162, t6166; in func_pol() local
3312 t6143 = t5790 * t529; in func_pol()
3322 …183283940000000000e2 * t274 * t4026 * t6139 + 0.43750429683698296836e-2 * t6143 + 0.21875214841849… in func_pol()
3487 …64485671803190050e-3 * t1512 * t599 - t7099 + 0.29166953122465531224e-2 * t6143 + 0.14583476561232… in func_pol()
3664 …6953122465531224e-2 * t7068 - t7083 - t7099 + 0.14583476561232765612e-2 * t6143 + 0.72917382806163… in func_pol()
|
| H A D | gga_c_pbeloc.c | 2176 double t6143, t6147, t6148, t6151, t6155, t6170, t6172, t6174; in func_pol() local
5861 t6143 = t2416 * t1690 * t420; in func_pol()
5865 …34 * t155 + 0.4e1 * t343 * t6137 + 0.4e1 * t1462 * t1582 - 0.6e1 * t343 * t6143 + 0.32898681336964… in func_pol()
9465 …6 * (t21938 + t21964) + 0.2e1 * t858 * t6148 - 0.6e1 * t616 * t6143 - 0.6e1 * t858 * t6143 - 0.153… in func_pol()
9631 …t22995 = t114 * t22923 * t155 - 0.12e2 * t1092 * t6143 - 0.12e2 * t993 * t6143 - 0.2e1 * t17967 * … in func_pol()
10380 t24868 = 0.6e1 * t1392 * t6143; in func_pol()
10414 …* t24792 - 0.98696044010893586190e-1 * t24795 + t24040 - 0.18e2 * t1462 * t6143 + 0.6e1 * t1462 * … in func_pol()
|
| H A D | gga_c_pbe.c | 1652 double t6137, t6138, t6143, t6144, t6145, t6147, t6151, t6152; in func_pol() local
4574 t6143 = t4392 * t816; in func_pol()
4575 t6144 = 0.35e2 / 0.24e2 * t6143; in func_pol()
4817 …t7479 = 0.35e2 / 0.18e2 * t6143 + 0.7e1 / 0.288e3 * t7461 + t586 * t588 * t7180 * t590 / 0.384e3 +… in func_pol()
|
| H A D | gga_xc_b97.c | 1923 double t6143, t6145, t6146, t6149, t6151, t6153, t6155, t6157; in func_pol() local
5276 t6143 = t1305 * t6142; in func_pol()
5290 …1 * t6138 + 0.32164683177870697974e2 * t6140 - 0.10000000000000000000e1 * t6143 + 0.62180000000000… in func_pol()
7789 …+ t14470) + 0.64329366355741395948e2 * t6140 - 0.20000000000000000000e1 * t6143 + 0.12436000000000… in func_pol()
8049 …6 + t6958 + 0.96494049533612093922e2 * t6140 - 0.30000000000000000000e1 * t6143 + t6960 + t7050 + … in func_pol()
|
| H A D | gga_c_pw91.c | 2130 double t6139, t6143, t6146, t6147, t6151, t6152, t6153, t6154; in func_pol() local
5852 t6143 = 0.25844881434903430496e-2 * t89 * t95 * t6139 * t397; in func_pol()
5869 v3sigma3[0] = t7 * (t6143 - t6146 + t6151 + t6154 - t6169); in func_pol()
9341 v4rhosigma3[0] = t20192 * t7 + t6143 - t6146 + t6151 + t6154 - t6169; in func_pol()
9518 v4rhosigma3[10] = t20703 * t7 + t6143 - t6146 + t6151 + t6154 - t6169; in func_pol()
|
| H A D | gga_c_bmk.c | 1569 double t6142, t6143, t6144, t6145, t6146, t6147, t6148, t6149; in func_pol() local
4701 t6143 = 0.10000000000000000000e1 * t6142; in func_pol()
4719 t6210 = -t6132 - t6134 + t6136 - t6138 + t6140 - t6143 + t6146 + t6149 + t6150 + t6152 + t6209; in func_pol()
6721 …t18064 = t6149 + t6140 - t6143 + t6136 - t17826 + t17827 - t17828 + t17829 + t17830 + t2 * (t17859… in func_pol()
|
| H A D | gga_c_regtpss.c | 2573 double t6143, t6144, t6146, t6147, t6148, t6149, t6151, t6152; in func_pol() local
6254 t6143 = t639 * t659; in func_pol()
6255 t6144 = 0.120e3 * t6143; in func_pol()
6831 t8000 = 0.60e2 * t6143; in func_pol()
7402 t10011 = 0.20e2 * t6143; in func_pol()
|
| H A D | hyb_gga_xc_wb97.c | 2108 double t6141, t6142, t6143, t6145, t6147, t6148, t6149, t6150; in func_pol() local
5847 t6143 = t6142 * t2172; in func_pol()
5850 ….96e2 * t6130 + 0.60e2 * t6132 - t6135 + t6138 - t6141 + 0.32530742648344572643e-1 * t6143 - t6147; in func_pol()
6066 …t6532 = -t6141 + 0.21687161765563048428e-1 * t6143 - t6147 - t6519 - 0.24e2 * t6151 - t6154 + t652… in func_pol()
6915 …t8634 = -t6141 + 0.10843580882781524214e-1 * t6143 - t6147 - t6519 + 0.12e2 * t6151 + t6154 + t652… in func_pol()
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 849 t6135,t6137,t6143,t6146,t6154,t6159,t6164,t6169,t6174,t6176,t6178,t6185 local
3834 t6143 = t21 * t2622 * t160
3840 …- .CONVERT."0.18918900D8" * t2849 + .CONVERT."0.3003D4" * t6143 - .CONVERT."0.5898454236675D13" / …
4490 …CONVERT."0.227026800D9" * t2427 + .CONVERT."0.70945875D8" * t2849 - .CONVERT."0.45045D5" * t6143 &
5259 * t2427 - .CONVERT."0.227026800D9" * t2849 + .CONVERT."0.360360D6" * t6143 + &
6140 * t2849 - .CONVERT."0.2042040D7" * t6143 - .CONVERT."0.14111948641415625D17" &
6852 …- .CONVERT."0.3039321285D10" / .CONVERT."0.16D2" * t12620 + .CONVERT."0.9189180D7" * t6143 + .CONV…
8734 …t11081 - .CONVERT."0.34918884D8" * t6143 + .CONVERT."0.46189D5" / .CONVERT."0.2D1" * t1628 - .CONV…
9409 … + .CONVERT."0.116396280D9" * t6143 + .CONVERT."0.4021905362803453125D19" / .CONVERT."0.2048D4" &
11247 …t21675 = .CONVERT."-0.349188840D9" * t6143 - .CONVERT."0.16892002523774503125D20" / .CONVERT."0.20…
|
| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 849 t6135,t6137,t6143,t6146,t6154,t6159,t6164,t6169,t6174,t6176,t6178,t6185 local
3834 t6143 = t21 * t2622 * t160
3840 …- .CONVERT."0.18918900D8" * t2849 + .CONVERT."0.3003D4" * t6143 - .CONVERT."0.5898454236675D13" / …
4490 …CONVERT."0.227026800D9" * t2427 + .CONVERT."0.70945875D8" * t2849 - .CONVERT."0.45045D5" * t6143 &
5259 * t2427 - .CONVERT."0.227026800D9" * t2849 + .CONVERT."0.360360D6" * t6143 + &
6140 * t2849 - .CONVERT."0.2042040D7" * t6143 - .CONVERT."0.14111948641415625D17" &
6852 …- .CONVERT."0.3039321285D10" / .CONVERT."0.16D2" * t12620 + .CONVERT."0.9189180D7" * t6143 + .CONV…
8734 …t11081 - .CONVERT."0.34918884D8" * t6143 + .CONVERT."0.46189D5" / .CONVERT."0.2D1" * t1628 - .CONV…
9409 … + .CONVERT."0.116396280D9" * t6143 + .CONVERT."0.4021905362803453125D19" / .CONVERT."0.2048D4" &
11247 …t21675 = .CONVERT."-0.349188840D9" * t6143 - .CONVERT."0.16892002523774503125D20" / .CONVERT."0.20…
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 221 double t6083, t6084, t6101, t6121, t6122, t6143, t6191, t6192; in func_unpol() local
1892 …t6143 = -0.16e2 / 0.3e1 * t1032 * t4769 - 0.8e1 * t631 * t868 + t6122 + 0.2e1 / 0.3e1 * t196 * t26… in func_unpol()
1923 …v4rhosigmatau2[0] = (t6143 + 0.16e2 / 0.3e1 * t589 * t5797 - 0.12e2 * t4442 * t5534 - 0.8e1 * t221… in func_unpol()
2253 double t6141, t6143, t6144, t6145, t6146, t6147, t6148, t6149; in func_ferr() local
3907 t6143 = 0.8e1 / 0.3e1 * t5281; in func_ferr()
3914 t6150 = -t6143 + t6144 + t6145 - t6146 + t5566 - t5567 - t6147 + t6148 - t6149 + t5576 - t5577; in func_ferr()
4008 …t6863 = t6140 - t6141 - t6143 + t6144 + t6145 - t6146 + t4963 - t4967 - t6147 + t6148 - t6149 + t5… in func_ferr()
|