| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_zvpbeloc.c | 2292 double t6076, t6077, t6079, t6080, t6083, t6085, t6087, t6091; in func_pol() local
5869 t6079 = t112 * t1801; in func_pol()
5870 t6080 = t6079 * t1400; in func_pol()
6035 t6407 = t6079 * t1590; in func_pol()
9462 …t6079 * t4575 + 0.2e1 * t21328 - 0.2e1 * t21330 - t4592 * t1807 - t4560 * t1807 + 0.2e1 * t1398 * … in func_pol()
9802 … 0.6e1 * t1398 * t6161 * t22190 - t1398 * t6075 * t3243 - 0.3e1 * t1398 * t6079 * t4782 + 0.3e1 * … in func_pol()
9837 … 0.3e1 * t1398 * t6161 * t16465 - t1398 * t21326 * t979 + 0.3e1 * t1398 * t6079 * t4788 + 0.2e1 * … in func_pol()
9842 …t1398 * t21611 * t5149 - 0.6e1 * t1398 * t6157 * t22186 - 0.3e1 * t1398 * t6079 * t5128 - t1588 * … in func_pol()
9989 …0.12e2 * t1398 * t6161 * t23642 - t1398 * t6075 * t3798 + 0.3e1 * t1398 * t6079 * t5587 + 0.2e1 * … in func_pol()
10421 t25236 = 0.3e1 * t1398 * t6079 * t6062; in func_pol()
[all …]
|
| H A D | gga_x_lag.c | 897 double t6060, t6066, t6070, t6072, t6073, t6074, t6079, t6084; in func_pol() local
3386 t6079 = 0.74056064267793358513e-5 * t328 * t1921; in func_pol()
3391 …t6101 = -t6072 - 0.29622425707117343405e-4 * t319 * t321 * t6074 - t6079 - 0.10869309472365516351e… in func_pol()
3434 …t6183 - 0.28912293220125760757e-3 * t123 * t381 * t6187 + t6055 - t6072 - t6079 + t6095 + t6100 + … in func_pol()
|
| H A D | gga_c_revtca.c | 1395 double t6075, t6079, t6081, t6083, t6085, t6086, t6088, t6089; in func_pol() local
4469 t6079 = 0.41674338062319999999e1 * t516 * t517 * t5844; in func_pol()
4482 …t6102 = t6079 - t6081 - t6083 + t6086 + t6089 + t6092 + t6095 + t6098 - t6099 - t6100 + 0.30110950… in func_pol()
4724 …213308309095e-2 * t5532 + t6070 - 0.37043856055395555554e2 * t6071 - t6073 - t6074 + t6075 + t6079; in func_pol()
4834 …t7288 = -t6074 + t6075 + t6079 - t6081 - t6083 - t6796 - t6797 + t6092 + t6095 - t6798 + t6805 - t… in func_pol()
4870 t7536 = -t6073 - t6074 + t6075 + t6079 - t6081 - t6083 - t6086 - t6089 + t6092 + t6095 + t6098; in func_pol()
|
| H A D | gga_c_regtpss.c | 2569 double t6078, t6079, t6081, t6082, t6083, t6084, t6088, t6090; in func_pol() local
6223 t6079 = 0.13012297560362087810e0 * t1995; in func_pol()
6224 …- t6071 + t6072 + 0.144e3 * t1977 + t6074 - t6075 + t6076 - t6077 - t6078 - t6079 + 0.72e2 * t1998; in func_pol()
6807 t7938 = -t7934 - t6071 - t1978 - t7935 + t7936 - t6077 - t6078 - t6079 + t4095 - t7937 + t4096; in func_pol()
7380 …t9932 = 0.12e2 * t3425 - t6078 - t6079 + 0.70178683471615754484e1 * t2737 - 0.14649157844805236044… in func_pol()
7830 …t12095 = 0.18e2 * t3425 - t6078 - t6079 + 0.10526802520742363173e2 * t2737 - t7937 + 0.21973736767… in func_pol()
8073 …t13591 = -t6074 - t6075 - t6076 + 0.4e1 * t4094 - t6077 - t6078 - t6079 + 0.14035736694323150897e2… in func_pol()
|
| H A D | gga_c_zvpbeint.c | 2555 double t6079, t6080, t6083, t6084, t6085, t6088, t6091, t6094; in func_pol() local
6875 t6079 = 0.86748650402413918736e-1 * t1765; in func_pol()
7303 …12e2 * t2316 - t6075 + t6076 + t6077 + 0.13012297560362087810e0 * t1762 - t6079 + t6080 - 0.12e2 *… in func_pol()
7705 …t9132 = t6077 + 0.97592231702715658578e-1 * t1762 - t6079 + t7646 + t7647 + t3834 + 0.3e1 * t2866 … in func_pol()
8029 …t10948 = t6077 + 0.65061487801810439052e-1 * t1762 - t6079 + 0.8e1 * t2861 + 0.6e1 * t2864 + 0.8e1… in func_pol()
8039 …383603927032e-2 * t3356 - t6073 - t3832 - t6075 + t6076 + t6077 + t1763 - t6079 - t7646 + t7647 + … in func_pol()
8340 …t13056 = t6077 - t6079 - t6080 + 0.12e2 * t2864 - 0.48e2 * t3360 - 0.48e2 * t3363 + t6083 - t11043… in func_pol()
|
| H A D | gga_c_q2d.c | 4044 double t6077, t6079, t6080, t6081, t6082, t6084, t6085, t6086; in func_pol() local
9257 t6079 = t725 * t631; in func_pol()
9258 t6080 = t6079 * t283; in func_pol()
9261 t6084 = t6079 * t321; in func_pol()
11392 t9843 = t786 * t6079; in func_pol()
14761 …t18680 - t1363 * t5908 * t5620 / 0.192e3 - 0.5e1 / 0.64e2 * t5636 * t64 * t6079 * t1107 - 0.35e2 /… in func_pol()
14796 …t18972 = t1363 * t1364 * t18935 * t321 / 0.192e3 + t1363 * t1364 * t6079 * t1346 / 0.384e3 + t1413… in func_pol()
14811 … + 0.7e1 / 0.1152e4 * t16586 + 0.7e1 / 0.1152e4 * t16588 - t1363 * t1985 * t6079 * t1326 / 0.192e3; in func_pol()
14815 …/ 0.192e3 * t1662 * t64 * t18935 * t283 + 0.5e1 / 0.384e3 * t1662 * t64 * t6079 * t1121 - 0.7e1 / … in func_pol()
15203 … 0.5e1 / 0.64e2 * t5636 * t1364 * t1663 * t15710 - 0.5e1 / 0.192e3 * t1662 * t1364 * t6079 * t5150; in func_pol()
[all …]
|
| H A D | gga_c_bmk.c | 1566 double t6078, t6079, t6083, t6087, t6088, t6093, t6094, t6101; in func_pol() local
4671 t6079 = t3458 * t1306; in func_pol()
4679 …t6121 = -0.18662400000000000000e-14 * t263 * t6079 * t62 + 0.34992000000000000000e-12 * t263 * t60… in func_pol()
6820 …840000000000000e-13 * t544 * t19100 - 0.10031040000000000000e-13 * t263 * t6079 * sigma[0] + 0.391… in func_pol()
|
| H A D | gga_c_ft97.c | 6127 double t6079, t6081, t6085, t6088, t6090, t6094, t6099, t6101; in func_pol() local
13442 t6079 = t1424 * t713; in func_pol()
13443 t6081 = t2589 * t265 * t6079; in func_pol()
13462 t6124 = t2501 * t6079; in func_pol()
21289 t24571 = t2589 * t773 * t6079; in func_pol()
22875 t28280 = t2589 * t1175 * t6079; in func_pol()
25091 t33658 = t2589 * t1456 * t6079; in func_pol()
36995 … 0.9e1 * t97783 - 0.4e1 / 0.3e1 * t97785 + 0.2e1 * t446 * t2589 * t2619 * t6079 + 0.4e1 * t446 * t… in func_pol()
43973 t141313 = t446 * t9817 * t6079 * t6061; in func_pol()
44090 …t24400 - 0.4e1 / 0.9e1 * t142103 + 0.8e1 / 0.3e1 * t446 * t2589 * t6194 * t6079 - t446 * t242 * t1… in func_pol()
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 389 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local
2624 t6079 = -t6031 - t6033 - t6036 + t187*t4897*t65 - t6040 - t6042 &
2635 + t6079) - t6087 - t6090
3168 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local
5400 t6079 = -t6031 - t6033 - t6036 + t187*t4897*t65 - t6040 - t6042 &
5411 + t6079) - t6087 - t6090
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 389 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local
2624 t6079 = -t6031 - t6033 - t6036 + t187*t4897*t65 - t6040 - t6042 &
2635 + t6079) - t6087 - t6090
3168 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local
5400 t6079 = -t6031 - t6033 - t6036 + t187*t4897*t65 - t6040 - t6042 &
5411 + t6079) - t6087 - t6090
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 1021 double t6072, t6075, t6077, t6079, t6081, t6083, t6086, t6089; in func_pol() local
3365 t6079 = t48 * t6077 * t793; in func_pol()
3372 …t6110 = -0.8e1 / 0.81e2 * t6072 + 0.4e1 / 0.27e2 * t6075 - 0.100e3 / 0.243e3 * t6079 - 0.320e3 / 0… in func_pol()
3504 …71 * t2316 - 0.2e1 / 0.81e2 * t6072 + t6075 / 0.27e2 - 0.50e2 / 0.243e3 * t6079 - 0.80e2 / 0.729e3… in func_pol()
3928 …2 + 0.16e2 / 0.81e2 * t6764 - 0.8e1 / 0.81e2 * t6766 - 0.50e2 / 0.729e3 * t6079 - 0.5e1 / 0.81e2 *… in func_pol()
|
| H A D | lda_c_pmgb06.c | 1672 double t6068, t6070, t6071, t6073, t6074, t6075, t6077, t6079; in func_pol() local
5633 t6079 = t1498 * t2306; in func_pol()
5634 t6080 = t6079 * t320; in func_pol()
9112 t14872 = t6079 * t1008; in func_pol()
9384 t15486 = t6079 * t1011; in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tm.c | 4268 double t6058, t6061, t6068, t6073, t6076, t6077, t6078, t6079; in func_pol() local
7037 t6079 = t3914 * t1615; in func_pol()
7048 …20 - 0.54e2 * t3801 * t1662 - 0.108e3 * t3346 * t1808 + 0.648e3 * t2587 * t6079 + 0.12e2 * t341 * … in func_pol()
7050 …8e3 * t4322 * t1808 + 0.108e3 * t1209 * t6073 + t6078 - 0.648e3 * t3403 * t6079 - 0.24e2 * t4319 *… in func_pol()
8940 …54e2 * t3394 * t6076 + 0.324e3 * t3394 * t6091 - 0.648e3 * t9347 * t6079 - 0.648e3 * t9357 * t6079; in func_pol()
8960 ….324e3 * t2578 * t6091 - 0.108e3 * t3346 * t4834 + 0.24e2 * t913 * t5971 + 0.648e3 * t8209 * t6079; in func_pol()
9687 … - 0.162e3 * t3346 * t6076 - 0.162e3 * t3801 * t5653 + 0.1944e4 * t9254 * t6079 - t20398 + t5701 +… in func_pol()
9692 … 0.162e3 * t4305 * t6076 - 0.1944e4 * t11821 * t6079 + 0.162e3 * t4322 * t6076 - 0.1944e4 * t11888… in func_pol()
9931 …t21276 = 0.1296e4 * t10722 * t6079 - 0.216e3 * t13188 * t1808 + 0.48e2 * t1448 * t5971 + 0.24e2 * … in func_pol()
9940 …7e1 * t3852 * t1470 * t6076 + 0.81503139200000000000e2 * t10457 * t1470 * t6079 + 0.15093173925925… in func_pol()
[all …]
|
| H A D | mgga_xc_cc06.c | 1150 double t6074, t6079, t6080, t6081, t6082, t6093, t6096, t6110; in func_pol() local
4060 t6079 = t1286 * t843; in func_pol()
4061 t6080 = t309 * t6079; in func_pol()
4734 …v4lapl4[2] = t232 * (-0.48082170339838674114e-7 * t871 * t6079 * t6081 * t254 + 0.1562670536044756… in func_pol()
|
| H A D | mgga_x_edmgga.c | 1805 double t6052, t6071, t6079, t6082, t6087, t6091, t6093, t6118; in func_ferr() local
3005 t6079 = t2411 * t2103 * t82; in func_ferr()
3009 …t6093 = 0.82976344349436704320e-4 * t6079 - 0.20090475936879367330e-3 * t6082 - 0.3013571390531905… in func_ferr()
3032 …t6340 = -0.33190537739774681727e-3 * t6079 + 0.80361903747517469318e-3 * t6082 + 0.120542855621276… in func_ferr()
3055 …t6578 = 0.13276215095909872691e-2 * t6079 - 0.32144761499006987728e-2 * t6082 - 0.4821714224851048… in func_ferr()
3069 …t6731 = -0.53104860383639490765e-2 * t6079 + 0.12857904599602795091e-1 * t6082 + 0.192868568994041… in func_ferr()
3524 double t6073, t6076, t6079, t6082, t6083, t6085, t6088, t6089; in func_pol() local
6205 t6079 = t8 * t512 * t1755; in func_pol()
6216 …t6119 = t5682 + t5686 - 0.3e1 / 0.2e1 * t8 * t543 * t500 * t9 + 0.25e2 / 0.6e1 * t6076 - t6079 / 0… in func_pol()
6248 … * t123 * t186 * t1858 - 0.7e1 / 0.3e1 * t6288 + 0.41e2 / 0.9e1 * t6076 - t6079 / 0.3e1 + 0.4e1 / … in func_pol()
|
| H A D | mgga_x_scan.c | 3317 double t6079, t6083, t6084, t6093, t6094, t6098, t6099, t6102; in func_pol() local
6870 t6079 = t8 * t2029; in func_pol()
6875 …71 * t206 + 0.42955526451048670329e3 * t6077 + 0.12886657935314601099e4 * t6079 * t1888 - 0.366511… in func_pol()
6959 …0 * t6449 + 0.10738881612762167582e3 * t6451 + 0.32216644838286502747e3 * t6079 * t2245 + 0.197916… in func_pol()
7292 …16148769052e1 * t1883 * t8399 * t8400 * t206 - 0.24162483628714877060e3 * t6079 * t2886 - 0.494790… in func_pol()
7376 …3 + 0.10738881612762167582e3 * t8390 * t2245 - 0.80541612095716256868e2 * t6079 * t3230 + 0.109953… in func_pol()
7728 …9 - 0.46386562500000000000e0 * t1878 * t1558 + 0.30203104535893596326e2 * t6079 * t3963 + 0.151015… in func_pol()
7822 …101552267946798163e2 * t6442 * t3962 * t6443 + 0.15101552267946798163e2 * t6079 * t4215 - 0.805416… in func_pol()
|
| H A D | mgga_k_pc07.c | 8156 double t6065, t6069, t6073, t6079, t6084, t6091, t6092, t6093; in func_pol() local
11457 t6079 = t3941 * t140; in func_pol()
11478 … * t1664 - t38 * t6073 * t330 / 0.5832e4 - 0.2e1 * t3937 * t502 + 0.3e1 * t6079 * t1321 - 0.2e1 * … in func_pol()
11986 …t7587 = -t38 * t6073 * t429 / 0.5832e4 + t7537 / 0.2592e4 + 0.3e1 * t6079 * t1669 - 0.2e1 * t1315 … in func_pol()
14772 …t6079 * t3934 - 0.15e2 * t20903 * t6093 + 0.12e2 * t3924 * t6096 + 0.12e2 * t2488 * t141 * t6107 +… in func_pol()
16094 …t6079 * t5396 + 0.3e1 * t28128 * t1321 - 0.15e2 / 0.2e1 * t28131 * t6093 + 0.6e1 * t5409 * t6096 +… in func_pol()
16575 …0.2e1 * t3963 * t30483 * t330 + 0.27e2 * t1319 * t6092 * t1331 + 0.18e2 * t6079 * t6096 + 0.18e2 *… in func_pol()
17326 …6105 * t32927 * t34704 / 0.746496e6 + t34708 * t1681 / 0.1296e4 + 0.3e1 * t6079 * t6999 - 0.5e1 / … in func_pol()
17633 …25306 * t3978 * t1839 * t424 / 0.162e3 + 0.5e1 / 0.5832e4 * t7567 * t7584 + 0.18e2 * t6079 * t7553; in func_pol()
|
| H A D | mgga_c_b88.c | 2841 double t6073, t6074, t6075, t6077, t6079, t6080, t6082, t6083; in func_pol() local
7296 t6079 = 0.84000000000000000000e-1 * t1518 * t1554; in func_pol()
7297 t6080 = -t6043 - t6045 - t6049 + t6053 + t6057 + t6061 + t6065 + t6069 - t6073 + t6077 + t6079; in func_pol()
9659 …t20027 = -t6045 - t6049 + t6053 + t6057 + t6061 + t6065 + t6069 - t6073 + t6077 + t6079 + t4 * (t1… in func_pol()
9788 …t20949 = -t6045 - t6049 + t6053 + t6057 + t6061 + t6065 + t6069 - t6073 + t6077 + t6079 + t4 * (t2… in func_pol()
|
| H A D | hyb_mgga_x_js18.c | 8712 double t6078, t6079, t6082, t6086, t6092, t6093, t6094, t6098; in func_pol() local
12329 t6079 = t6078 * t581; in func_pol()
12330 …156 * t6069 + 0.14744579111111111111e-1 * t156 * t6073 - 0.34900379798164840299e-5 * t6076 * t6079; in func_pol()
15635 …t18354 = -0.34900379798164840299e-5 * t18324 * t6079 - 0.66e2 / 0.125e3 * t7820 * t18008 + 0.12e2 … in func_pol()
15887 …1 * t6069 + 0.14744579111111111111e-1 * t1031 * t6073 - 0.34900379798164840299e-5 * t19604 * t6079; in func_pol()
16635 … + 0.74937702345679012345e-1 * t46 * t22306 - 0.17737734345330796161e-4 * t6079 - 0.392e3 / 0.375e… in func_pol()
16710 …t22624 = -0.10470113939449452090e-4 * t22404 * t6079 - 0.17182647486395499033e-3 * t1419 * t5991 -… in func_pol()
21636 … 0.25e2 * t44217 * t4554 - 0.34900379798164840299e-5 * t2978 * sigma[0] * t6079 - 0.66e2 / 0.125e3… in func_pol()
22924 …/ 0.81e2 * t68211 * t583 - 0.10470113939449452090e-4 * t4495 * sigma[0] * t6079 + 0.98e2 / 0.135e3… in func_pol()
23141 …99033e-3 * t5002 * t5991 - 0.10470113939449452090e-4 * t5078 * sigma[0] * t6079 + 0.35e2 / 0.81e2 … in func_pol()
[all …]
|
| H A D | mgga_x_ms.c | 2934 double t6044, t6048, t6079, t6087, t6102, t6107, t6116, t6127; in func_pol() local
5756 …t6079 = -0.1250e4 / 0.243e3 * t598 * t6044 * t2907 + 0.50e2 / 0.9e1 * t6048 * t1660 - 0.50e2 / 0.2… in func_pol()
5768 …34 - 0.3e1 / 0.8e1 * t274 * t299 * (t5872 + t5917 + t5953 + t5994 + t6043 + t6079 + t6116 + t6158); in func_pol()
|
| H A D | mgga_c_m05.c | 3273 double t6073, t6074, t6076, t6078, t6079, t6081, t6082, t6084; in func_pol() local
7367 t6079 = t6078 * t361; in func_pol()
7374 …2 * t6074 - 0.10000000000000000000e1 * t6076 - 0.10000000000000000000e1 * t6079 - 0.10000000000000… in func_pol()
11068 …2 * t5027 - 0.20000000000000000000e1 * t6076 - 0.20000000000000000000e1 * t6079 - 0.20000000000000… in func_pol()
11466 …4 + t6532 - 0.30000000000000000000e1 * t6076 - 0.30000000000000000000e1 * t6079 - 0.30000000000000… in func_pol()
|
| H A D | mgga_c_vsxc.c | 3383 double t6074, t6076, t6077, t6079, t6081, t6082, t6084, t6086; in func_pol() local
7320 t6079 = t4421 * t606; in func_pol()
7321 …000000000000000000e1 * t6074 + 0.50000000000000000001e0 * t6077 + 0.10000000000000000000e1 * t6079; in func_pol()
11536 …1 * t6074 + 0.10000000000000000000e1 * t6077 + 0.20000000000000000000e1 * t6079 + 0.20000000000000… in func_pol()
11553 …1 * t6074 + 0.15000000000000000000e1 * t6077 + 0.30000000000000000000e1 * t6079 + 0.30000000000000… in func_pol()
|
| H A D | mgga_x_mbeef.c | 218 double t6071, t6074, t6077, t6078, t6079, t6092, t6116, t6130; in func_unpol() local
3167 t6079 = t6078 * t86; in func_unpol()
3199 …1518 + 0.162238741e-6 * t183 * t5322 - 0.48641848905146573185e0 * t6353 * t6079 + 0.822139896e-3 *… in func_unpol()
3234 …t6079 + 0.50977598943250520756e1 * t6562 * t6079 - 0.22082175481379870955e1 * t6565 * t6079 - 0.92… in func_unpol()
6543 …6739562058629274e1 * t7708 * t18862 + 0.19116511649646903419e1 * t20001 * t6079 + 0.912223751e-8 *… in func_unpol()
6606 …0619 * t6079 - 0.37022395773002083016e1 * t20622 * t6079 - 0.55533593659503124524e1 * t20625 * t20… in func_unpol()
7019 …681250000e-1 * t22431 - 0.1130108877e-6 * t558 * t7091 - 0.44919385865975715085e0 * t22435 * t6079; in func_unpol()
7278 …3 - 0.15914668896e0 * t184 * t23509 - 0.66246526444139612863e1 * t23516 * t6079 - 0.49119348444444… in func_unpol()
7376 …1 + 0.1517762271e-6 * t1727 * t2319 + 0.47791279124117258548e0 * t24039 * t6079 + 0.80648883862470… in func_unpol()
7425 …8956459889244526e0 * t24435 * t6079 + 0.50977598943250520756e1 * t24438 * t6079 - 0.48641848905146… in func_unpol()
[all …]
|
| H A D | mgga_x_2d_prhg07.c | 223 double t6072, t6073, t6075, t6076, t6077, t6078, t6079, t6080; in func_unpol() local
1982 t6079 = 0.3e1 / 0.4e1 * t5713; in func_unpol()
1986 …t6085 = -t6075 - t6076 + t5705 - t6077 + t6078 + t6079 - t6080 - t6081 + t6082 - t5682 * t262 / 0.… in func_unpol()
2064 …t6384 = t5705 - t6077 + t6078 + t6079 - t6080 - t6081 + t6082 + 0.3e1 / 0.16e2 * t1079 * t1369 - 0… in func_unpol()
|
| H A D | mgga_c_scan.c | 3813 double t6068, t6070, t6071, t6072, t6073, t6075, t6077, t6079; in func_pol() local
8523 t6079 = t1910 * t1785; in func_pol()
8539 … * t6075 + 0.11851851851851851852e0 * t6077 - 0.65843621399176954733e-1 * t6079 - 0.44444444444444… in func_pol()
8613 t6237 = 0.13168724279835390947e0 * t6079; in func_pol()
8735 …0 * t6075 + 0.47407407407407407408e0 * t6077 - 0.26337448559670781894e0 * t6079 - 0.88888888888888… in func_pol()
|