| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | hyb_gga_xc_wb97.c | 7594 t10441 = t590 * t10440; in func_pol()
7646 t10554 = -t10440; in func_pol()
7680 t10686 = t10440 * t271; in func_pol()
7897 t11280 = t580 * t10440; in func_pol()
7929 t11336 = t591 * t10440; in func_pol()
7943 t11406 = t627 * t10440; in func_pol()
7961 t11475 = t608 * t10440; in func_pol()
11342 t28559 = t1378 * t10440; in func_pol()
11345 t28564 = t1371 * t10440; in func_pol()
11495 t29786 = t10440 * t735; in func_pol()
[all …]
|
| H A D | gga_c_op_pbe.c | 997 double t10431, t10436, t10438, t10440, t10441, t10442, t10446, t10451; in func_pol() local
4117 t10440 = 0.21746781909191832422e-4 * t1546 * t807; in func_pol()
4118 …* t164 * t981 * t10427 - 0.10000000000000000000e1 * t85 * t293 * t10431 - t10436 + t10438 + t10440; in func_pol()
4411 …t12104 = -0.50000000000000000000e0 * t350 * t2926 * t362 - t10436 + t10438 + t10440 + 0.3619258460… in func_pol()
4568 …714e-7 * t12073 - 0.36405024248480828318e-7 * t12075 - t10436 + t10438 + t10440 + 0.25000000000000… in func_pol()
|
| H A D | gga_c_gaploc.c | 12948 t10442 = t10440 * t141 * t144; in func_pol()
12951 t10449 = t437 * t10440; in func_pol()
13092 t10634 = t552 * t10440; in func_pol()
13127 t10690 = t521 * t10440; in func_pol()
13131 t10702 = t161 * t10440; in func_pol()
18291 t33214 = t175 * t10440; in func_pol()
18304 t33244 = t130 * t10440; in func_pol()
18421 t33514 = t551 * t10440; in func_pol()
18848 t34531 = t1438 * t10440; in func_pol()
20767 t43176 = t507 * t10440; in func_pol()
[all …]
|
| H A D | gga_c_op_g96.c | 933 double t10433, t10438, t10440, t10442, t10446, t10456, t10460, t10461; in func_pol() local
4007 t10440 = t280 * t817; in func_pol()
4008 t10442 = 0.10000000000000000000e1 * t210 * t10440; in func_pol()
5085 …6 * t203 * t9 * t167 * t170 - 0.70965822682397886190e-5 * t2828 * t190 * t10440 * t170 + 0.1726662… in func_pol()
|
| H A D | gga_c_bmk.c | 1697 double t10432, t10434, t10440, t10441, t10446, t10458, t10468, t10471; in func_pol() local
5801 t10440 = 0.13772666666666666666e1 * t9659; in func_pol()
5803 … + 0.10329500000000000000e1 * t9653 - 0.61977000000000000000e1 * t9657 + t10440 - t10441 - 0.10329… in func_pol()
6375 …t14899 = 0.20839000000000000000e0 * t1479 * t1191 * t14581 + t10429 - t10431 + t10440 - t10441 + 0… in func_pol()
|
| H A D | gga_x_sfat_pbe.c | 3542 double t10426, t10428, t10430, t10432, t10440, t10454, t10465, t10467; in func_pol() local
7029 t10440 = t2851 * t900 * t4450; in func_pol()
7032 …0.98540271273991726193e-3 * t10170 - t9885 - 0.16248800415641118731e-6 * t10440 + t894 * t3897 * t… in func_pol()
7154 …0.14781040691098758929e-2 * t10170 - t9885 - 0.48746401246923356194e-6 * t10440 + 0.10116801184129… in func_pol()
|
| H A D | gga_c_pw91.c | 2291 double t10439, t10440, t10441, t10444, t10446, t10447, t10448, t10451; in func_pol() local
7160 t10440 = t10439 * t118; in func_pol()
7161 t10441 = t2076 * t10440; in func_pol()
7338 …418e0 * t987 * t989 * t10524 - 0.52158968938732547127e0 * t987 * t2523 * t10440 - 0.16227234780939… in func_pol()
|
| H A D | gga_c_zpbeint.c | 2239 double t10437, t10440, t10441, t10442, t10447, t10448, t10452, t10453; in func_pol() local
7093 t10440 = 0.60e2 * t8631; in func_pol()
7099 …t10453 = 0.6e1 * t291 * t3580 * t365 * t367 - 0.18e2 * t10448 * t1459 * t2942 + t10440 + t10441 + … in func_pol()
7144 …t10716 = -t10431 + t6090 - t10432 - t6095 - t10433 + t6129 + t10440 + t10441 + t10442 + t10447 - t… in func_pol()
|
| H A D | gga_c_optc.c | 2751 double t10440, t10454, t10456, t10460, t10464, t10474, t10480, t10481; in func_pol() local
8894 t10440 = t1211 * t2486; in func_pol()
8895 …1 * t3556 * t2572 + t10437 + 0.28977204965962526182e-1 * t3551 * t2553 + t10440 / 0.162e3 - 0.4829… in func_pol()
9888 …609937543637e-2 * t13084 - 0.16098447203312514546e-2 * t10432 + t10437 + t10440 / 0.81e2 + 0.12073… in func_pol()
10575 …2 + t898 * t15191 / 0.72e2 - 0.55056689435328799746e0 * t12929 * t1226 + t10440 / 0.54e2 - 0.10866… in func_pol()
|
| H A D | gga_c_sg4.c | 3116 double t10420, t10431, t10432, t10433, t10437, t10440, t10453, t10458; in func_pol() local
9774 …t10440 = -t10073 - t10433 - 0.45000000000000000000e1 * t10388 + 0.18000000000000000000e1 * t10391 … in func_pol()
9775 …000000000e1 * t10397 + t434 * t2391 * t115 + (t10412 + t10420 + t10432 + t10440) * t292 - 0.3e1 * … in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m06l.c | 2994 double t10439, t10440, t10464, t10480, t10484, t10487, t10492, t10495; in func_pol() local
6438 t10440 = t10439 * t191; in func_pol()
6439 …t10440 + 0.200e3 / 0.3e1 * t62 * t1227 * t10440 - 0.280e3 / 0.3e1 * t452 * t4245 + 0.200e3 / 0.3e1… in func_pol()
|
| H A D | mgga_x_ms.c | 2973 double t10422, t10433, t10440, t10455, t10466, t10469, t10472, t10484; in func_pol() local
6701 t10440 = t1201 * t3519; in func_pol()
6702 …4e2 * t8548 * t280 + 0.25e2 / 0.54e2 * t3066 * t702 - 0.100e3 / 0.27e2 * t10440 * t169 - 0.25e2 / … in func_pol()
7247 …15 * t62 * t11595 + 0.100e3 / 0.27e2 * t420 * t421 * t39 * t3349 + 0.25e2 / 0.27e2 * t10440 * t280; in func_pol()
|
| H A D | mgga_x_m08.c | 2920 double t10392, t10395, t10399, t10424, t10432, t10436, t10439, t10440; in func_pol() local
5858 t10440 = t9372 * t4874; in func_pol()
5860 … t10432 - t4246 * t1687 * t2051 * t9 - 0.2e1 / 0.9e1 * t10436 - t10439 + t10440 / 0.6e1 - t4236 * … in func_pol()
5874 …v4rho3tau[4] = -0.4e1 / 0.9e1 * t10436 - t10439 - t10432 - 0.4e1 / 0.3e1 * t10440 - 0.2e1 / 0.9e1 … in func_pol()
|
| H A D | mgga_c_vsxc.c | 3677 double t10430, t10431, t10433, t10434, t10436, t10437, t10439, t10440; in func_pol() local
10078 t10440 = t2299 * t3138; in func_pol()
10079 t10442 = 0.38863375000000000000e-2 * t247 * t10440; in func_pol()
13768 …1347 * t33627 + 0.38863375000000000000e-2 * t527 * t10440 + 0.38863375000000000000e-2 * t529 * t10… in func_pol()
13849 …1886 * t33738 + 0.38863375000000000000e-2 * t698 * t10440 + 0.38863375000000000000e-2 * t700 * t10… in func_pol()
|
| H A D | hyb_mgga_x_pjs18.c | 3816 double t10432, t10433, t10436, t10439, t10440, t10441, t10444, t10446; in func_pol() local
7575 t10440 = t3388 * t9; in func_pol()
7576 t10441 = t3387 * t10440; in func_pol()
10867 …* t3386 * t30238 * t3405 - 0.62888224691358024690e-1 * t10439 * t10367 * t10440 + t30440 + 0.62888… in func_pol()
10901 …e0 * t3386 * t9063 * t3405 + 0.10481370781893004115e0 * t10439 * t3352 * t10440 - 0.10481370781893… in func_pol()
10907 …* t3386 * t30441 * t3405 - 0.62888224691358024690e-1 * t10439 * t10446 * t10440 + t30440 + t30449 … in func_pol()
11781 …* t3386 * t37338 * t3405 - 0.31444112345679012345e-1 * t10439 * t12323 * t10440 + 0.31444112345679… in func_pol()
|
| H A D | mgga_c_scan.c | 4061 double t10388, t10389, t10408, t10409, t10410, t10426, t10440, t10452; in func_pol() local
10966 t10440 = 0.1e1 / t48 / t2884 / t47; in func_pol()
10967 …0.4e1 / 0.9e1 * t2879 * t2789 + t320 * t9915 / 0.3e1 - 0.28e2 / 0.81e2 * t10440 * t9920 + 0.8e1 / … in func_pol()
11424 …682 * t265 - 0.2e1 / 0.3e1 * t3595 * t11805 + t11888 - 0.28e2 / 0.81e2 * t10440 * t489 * t2794 + 0… in func_pol()
11855 …t1095 * t4318 * t265 - t4623 * t857 / 0.9e1 + t11888 - 0.28e2 / 0.81e2 * t10440 * t1514 * t861 - 0… in func_pol()
12288 …t1095 * t5027 * t265 / 0.9e1 + t320 * t15798 / 0.3e1 - 0.28e2 / 0.81e2 * t10440 * t5030 * t267 - 0… in func_pol()
12505 ….4e1 / 0.9e1 * t1312 * t5027 + t320 * t17275 / 0.3e1 - 0.28e2 / 0.81e2 * t10440 * t17278 + 0.8e1 /… in func_pol()
|
| H A D | mgga_x_rscan.c | 7482 double t10432, t10435, t10440, t10455, t10474, t10476, t10480, t10481; in func_ferr() local
11365 t10440 = t8030 * t4086; in func_ferr()
11366 …323 + 0.50992772955200640000e5 * t8802 * t3327 - 0.34482817777082400e5 * t10440 * t10133 - 0.62696… in func_ferr()
11786 …06 * t11804 - 0.13129114700770200000e4 * t10432 * t11745 - 0.34482817777082400e5 * t10440 * t11804; in func_ferr()
12088 …t14359 = 0.85936023495950400000e3 * t4073 * t13786 - 0.22988545184721600e5 * t10440 * t13802 + 0.9… in func_ferr()
12542 …8 - 0.20688301952728800000e4 * t14159 * t15631 - 0.22988545184721600e5 * t10440 * t15628 + 0.91954… in func_ferr()
12865 …26 + 0.25968144520640000000e3 * t6032 * t17330 - 0.22988545184721600e5 * t10440 * t17322 + 0.42968… in func_ferr()
13357 …14331 * t19473 + 0.2031815862286000e4 * t19806 - 0.11494272592360800e5 * t10440 * t19473 + 0.19427… in func_ferr()
13570 …8 - 0.12620518237031040000e4 * t19486 * t21108 - 0.11494272592360800e5 * t10440 * t21108 + 0.35109… in func_ferr()
|
| H A D | mgga_c_bc95.c | 2629 double t10420, t10440, t10447, t10448, t10461, t10463, t10466, t10469; in func_pol() local
8729 …t10440 = t7916 - 0.30822000000000000000e0 * t9686 + 0.20547999999999999999e0 * t9690 - 0.570777777… in func_pol()
8733 t10463 = t6 * (t10440 + t10461); in func_pol()
|
| H A D | mgga_x_mbeef.c | 347 double t10434, t10436, t10437, t10439, t10440, t10442, t10443, t10445; in func_unpol() local
4211 t10440 = t1332 * t10439; in func_unpol()
4363 … 0.125e3 / 0.216e3 * t10420 - 0.15e2 / 0.2e1 * t10437 - 0.15e2 / 0.4e1 * t10440 - 0.945e3 / 0.2e1 … in func_unpol()
4415 … / 0.54e2 * t10418 + 0.25e2 / 0.54e2 * t10420 + 0.6e1 * t10437 + 0.3e1 * t10440 + 0.15e2 / 0.2e1 *… in func_unpol()
14621 double t10431, t10433, t10435, t10437, t10439, t10440, t10442, t10443; in func_ferr() local
18395 t10440 = t10439 * t506; in func_ferr()
18401 …5e3 / 0.144e3 * t10435 + 0.125e3 / 0.144e3 * t10437 + 0.125e3 / 0.18e2 * t10440 - 0.125e3 / 0.36e2… in func_ferr()
18616 …- 0.25e2 / 0.36e2 * t10435 - 0.25e2 / 0.36e2 * t10437 - 0.50e2 / 0.9e1 * t10440 + 0.25e2 / 0.9e1 *… in func_ferr()
28552 double t10437, t10439, t10440, t10442, t10443, t10445, t10447, t10448; in func_pol() local
34065 t10440 = t10439 * t10432; in func_pol()
[all …]
|
| H A D | mgga_x_br89.c | 14292 double t10437, t10440, t10446, t10449, t10450, t10451, t10452, t10455; in func_ferr() local
19046 t10440 = t1971 * t1843; in func_ferr()
28666 double t10437, t10438, t10439, t10440, t10441, t10442, t10443, t10445; in func_pol() local
41043 t10440 = t5652 * t10439; in func_pol()
41044 t10441 = t5905 * t10440; in func_pol()
41858 t11313 = t7238 * t10440; in func_pol()
42823 t12439 = t8960 * t10440; in func_pol()
56081 t52571 = t32733 * t10440; in func_pol()
57678 t59049 = t38964 * t10440; in func_pol()
59046 t66316 = t45576 * t10440; in func_pol()
[all …]
|
| H A D | mgga_x_sa_tpss.c | 7838 double t10431, t10434, t10437, t10440, t10442, t10447, t10449, t10453; in func_pol() local
12467 t10440 = t4282 * t4298 * t10204; in func_pol()
12471 …25e2 / 0.144e3 * t10434 + 0.25e2 / 0.432e3 * t10437 + 0.25e2 / 0.648e3 * t10440 - 0.4e1 / 0.45e2 *… in func_pol()
15828 …125e3 / 0.18e2 * t10434 + 0.125e3 / 0.54e2 * t10437 + 0.125e3 / 0.81e2 * t10440 - 0.500e3 / 0.2187… in func_pol()
|
| H A D | mgga_k_pc07.c | 8279 double t10433, t10436, t10437, t10440, t10443, t10452, t10457, t10458; in func_pol() local
12736 t10440 = t3067 * t664; in func_pol()
12742 …t10476 = -0.25353595976778e2 * t635 * t10437 + 0.3136462668e2 * t3066 * t10440 - 0.25353595976778e… in func_pol()
13230 …5 - 0.50707191953556e2 * t12478 * t2056 * t91 + 0.3136462668e2 * t3711 * t10440 - 0.25353595976778… in func_pol()
|
| H A D | mgga_xc_b98.c | 6030 double t10437, t10438, t10439, t10440, t10441, t10442, t10443, t10444; in func_pol() local
12951 t10440 = t2049 * t945; in func_pol()
12952 t10441 = 0.15545000000000000000e-1 * t10440; in func_pol()
18494 …t10436 + 0.30000000000000000000e1 * t10438 - 0.46635000000000000000e-1 * t10440 - 0.93270000000000… in func_pol()
|
| H A D | mgga_c_kcis.c | 5051 double t10434, t10437, t10440, t10441, t10444, t10447, t10448, t10451; in func_pol() local
12525 t10440 = t3711 * t3588; in func_pol()
12526 t10441 = t879 * t10440; in func_pol()
21418 …e-1 * t971 * t10451 * t3728 - 0.37143555555555555556e-1 * t971 * t3724 * t10440 - 0.12381185185185… in func_pol()
23883 …e-1 * t971 * t5270 * t10384 - 0.92858888888888888888e-2 * t971 * t5270 * t10440 + 0.27857666666666… in func_pol()
27674 …59e-1 * t252 * t320 * t10384 - 0.92858888888888888888e-2 * t252 * t320 * t10440 + 0.11607361111111… in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 4398 double t10425, t10426, t10427, t10428, t10429, t10430, t10431, t10440; in func_pol() local
7819 t10440 = t6122 * t237; in func_pol()
7821 … t2378 * t10440 - 0.8e1 / 0.3e1 * t3138 * t2359 * t6127 * t237 + 0.2e1 / 0.3e1 * t3138 * t2359 * t… in func_pol()
|