| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_beefvdw.c | 1702 double t2069, t2070, t2071, t2073, t2075, t2078, t2079, t2081; in func_pol() local
2813 t2081 = t834 * t330; in func_pol()
2829 …t2081 - 0.17122965283876657760e10 * t128 * t2081 - 0.16035503731642003527e10 * t131 * t2081 + 0.12… in func_pol()
2849 …2 * t2181 - 0.10565196578987170558e0 * t2107 + 0.31653372069353880566e1 * t2081 + 0.31602912573987… in func_pol()
2855 …e9 * t968 * t330 - 0.31124412196682414264e6 * t133 * t2081 + 0.27241485413221729698e7 * t136 * t20… in func_pol()
2856 …t2081 - 0.26595683631825062073e8 * t141 * t2081 - 0.48223721498554824908e7 * t144 * t2081 + 0.1539… in func_pol()
2857 …t2081 - 0.43785472736230281612e3 * t119 * t2081 + 0.36650441951179020202e4 * t121 * t2081 + 0.1806… in func_pol()
3640 …21 - 0.23349622667518089582e1 * t330 * t2892 - 0.16670336442633356512e2 * t2081 * t487 - 0.5557930… in func_pol()
3644 …t2081 + 0.10995132585353706061e5 * t527 * t2081 + 0.72244813619394898688e5 * t529 * t2081 - 0.7431… in func_pol()
3653 …t2081 - 0.34245930567753315520e11 * t504 * t2081 - 0.33674557836448207407e11 * t506 * t2081 + 0.27… in func_pol()
[all …]
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| H A D | gga_c_w94.c | 550 double t2070, t2075, t2077, t2079, t2081, t2085, t2093, t2102; in func_pol() local
1527 t2081 = t184 * t56; in func_pol()
1531 …t2081 - 0.25e2 / 0.18e2 * t323 * t547 * t2085 - 0.125e3 / 0.72e2 * t1001 * t1749 * t2081 + 0.10e2 … in func_pol()
1547 …t2081 - 0.25e2 / 0.18e2 * t323 * t594 * t2085 - 0.125e3 / 0.72e2 * t1001 * t1833 * t2081 + 0.10e2 … in func_pol()
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| H A D | gga_x_2d_b88.c | 657 double t2037, t2046, t2055, t2063, t2065, t2081, t2082, t2090; in func_pol() local
1611 t2081 = 0.1e1 / t857 / t49; in func_pol()
1618 ….55832296303523754860e-1 * t118 * t889 + 0.11166459260704750972e0 * t40 * t2081 * t2082 - 0.167496… in func_pol()
1709 ….25124533336585689687e0 * t118 * t1049 + 0.11166459260704750972e0 * t40 * t2081 * t169 * t859 + t2… in func_pol()
1779 …61877430e-1 * t40 * t858 * t489 * t336 + 0.11166459260704750972e0 * t40 * t2081 * t472 * t336 - 0.… in func_pol()
1847 …83748444455285632290e-1 * t118 * t1220 + 0.11166459260704750972e0 * t40 * t2081 * t1219 * t133 - 0… in func_pol()
1898 …18610765434507918287e-1 * t416 * t1240 + 0.11166459260704750972e0 * t40 * t2081 * t3048 - 0.167496… in func_pol()
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| H A D | gga_c_acggap.c | 1167 t2081 = t181 * t162; in func_unpol()
1666 t5015 = t2081 * t228; in func_unpol()
3063 t2081 = t773 * t2080; in func_ferr()
3064 t2082 = t209 * t2081; in func_ferr()
3530 t5015 = t566 * t2081; in func_ferr()
3577 t5449 = t198 * t2081; in func_ferr()
7193 t2081 = t299 * t2080; in func_pol()
9566 t7262 = t2081 * t7261; in func_pol()
10039 t7894 = t2081 * t7893; in func_pol()
10084 t7985 = t2081 * t7984; in func_pol()
[all …]
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| H A D | gga_x_2d_b86_mgc.c | 478 double t1976, t1993, t2001, t2010, t2019, t2021, t2080, t2081; in func_pol() local
1390 t2081 = t779 * t849; in func_pol()
1395 …v4rho2sigma2[0] = -t2080 - 0.12e2 * t2081 - 0.8e1 * t2083 - 0.2e1 * t120 * t2085 * t150 - 0.8e1 * … in func_pol()
1417 …- 0.4e1 * t120 * t2089 * t92 - 0.4e1 * t790 * t848 * t3 - t2080 - 0.6e1 * t2081 - 0.4e1 * t2083 - … in func_pol()
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| H A D | gga_x_2d_pbe.c | 438 double t2081, t2097, t2113, t2115, t2117, t2119, t2121, t2138; in func_pol() local
1432 t2081 = t383 * t764; in func_pol()
1435 …* t1898 + 0.50611679643957322116e-2 * t1941 - 0.25305839821978661058e-2 * t2081 + 0.84352799406595… in func_pol()
1454 …v4rho3sigma[9] = -0.75917519465935983173e-2 * t1974 - 0.75917519465935983173e-2 * t2081 - 0.151835… in func_pol()
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| H A D | gga_x_c09x.c | 574 double t2021, t2023, t2028, t2033, t2038, t2048, t2075, t2081; in func_pol() local
1473 t2081 = t141 / t48 / t446; in func_pol()
1480 …t2081 * t55 + 0.12987962358721643396e-5 * t2086 * t55 - 0.79954767887596601447e-9 * t2092 * t856 +… in func_pol()
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| H A D | gga_x_rpbe.c | 522 double t2076, t2078, t2081, t2085, t2106, t2108, t2116, t2124; in func_pol() local
1578 t2081 = t7 * t219 * t829; in func_pol()
1582 …t2116 = -t2078 / 0.6e1 - t2081 / 0.6e1 - t7 * t64 * t38 * t2085 / 0.2e1 + t7 * t91 * t58 * t2085 /… in func_pol()
1598 … t2071 + 0.4e1 / 0.27e2 * t2074 - 0.2e1 / 0.3e1 * t2078 - 0.2e1 / 0.3e1 * t2081 + 0.5e1 / 0.81e2 *… in func_pol()
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| H A D | gga_x_chachiyo.c | 3125 t2081 = t141 * t2080; in func_pol()
3126 t2082 = t2081 * t148; in func_pol()
3544 t2639 = t2081 * t234; in func_pol()
4663 t6332 = t2081 * t409; in func_pol()
4664 t6334 = t2081 * t412; in func_pol()
4693 t6477 = t2081 * t300; in func_pol()
5146 t8921 = t2081 * t689; in func_pol()
5160 t8984 = t2081 * t683; in func_pol()
5163 t8992 = t2081 * t686; in func_pol()
5432 t10501 = t2081 * t833 / 0.96e2; in func_pol()
[all …]
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| H A D | gga_x_am05.c | 103 double t2053, t2072, t2077, t2081, t2084, t2097, t2132, t2169; in func_unpol() local
741 t2081 = t842 * t683; in func_unpol()
757 …t104 + 0.17e2 / 0.54e2 * t1890 * t1891 * t922 + 0.25e2 / 0.864e3 * t676 * t2081 * t104 * t12 * t18… in func_unpol()
759 …0 + t1984 + t136 * t29 * t300 * t2072 / 0.6e1 - 0.25e2 / 0.864e3 * t676 * t2081 * t40 * t2084 - 0.… in func_unpol()
891 double t2074, t2078, t2081, t2084, t2087, t2101, t2117, t2122; in func_ferr() local
1506 t2081 = t553 * t1163; in func_ferr()
1509 … 0.5e1 / 0.216e3 * t2074 * t1923 * t372 - t547 * t2078 / 0.162e3 + t552 * t2081 / 0.162e3 + t547 *… in func_ferr()
1535 …923 * t450 - t964 * t366 * t968 / 0.96e2 + t795 * t2087 / 0.72e2 - t795 * t2081 / 0.144e3 - 0.2e1 … in func_ferr()
1549 …* t1163 / 0.48e2 - t976 * t2087 / 0.96e2 + t972 * t2084 / 0.96e2 + t976 * t2081 / 0.192e3 + t232 *… in func_ferr()
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| H A D | gga_c_chachiyo.c | 782 double t2074, t2077, t2079, t2081, t2086, t2087, t2091, t2094; in func_pol() local
1707 t2081 = t143 * t1212 * t343; in func_pol()
1718 …t2109 = t2081 / 0.48e2 + t2087 - t2034 + 0.7e1 / 0.2304e4 * t2045 + 0.7e1 / 0.2304e4 * t2049 + 0.7… in func_pol()
1730 …t2129 = t2081 / 0.24e2 + t2120 - t2060 + 0.7e1 / 0.1152e4 * t2045 + 0.7e1 / 0.1152e4 * t2049 + t21… in func_pol()
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| H A D | gga_x_hcth_a.c | 689 double t2081, t2084, t2093, t2103, t2122, t2147, t2149, t2159; in func_pol() local
1636 t2081 = t845 * t850 * t967; in func_pol()
1638 … / 0.9e1 - 0.5e1 / 0.27e2 * t1787 * t367 * t402 * t322 + 0.2e1 / 0.27e2 * t2081 + 0.7e1 / 0.9e1 * … in func_pol()
1667 …5 * t87 - t2053 / 0.3e1 - t2060 / 0.6e1 + t2067 / 0.9e1 - t2074 / 0.6e1 + t2081 / 0.9e1 - t2084 / … in func_pol()
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| H A D | gga_x_vmt.c | 731 double t2063, t2081, t2098, t2120, t2132, t2142, t2157, t2170; in func_pol() local
1701 t2081 = t7 * t623 * t967; in func_pol()
1702 …t393 / 0.2e1 - t7 * t78 * t126 * t901 - t7 * t130 * t451 * t327 / 0.2e1 - t2081 / 0.9e1 - t7 * t23… in func_pol()
1725 …t2327 = -t2057 / 0.2e1 + t2060 - t2063 / 0.2e1 - t2081 / 0.6e1 - 0.5e1 / 0.9e1 * t1719 + t1725 / 0… in func_pol()
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| H A D | gga_x_b86.c | 668 double t2071, t2076, t2081, t2086, t2091, t2119, t2132, t2137; in func_pol() local
1635 t2081 = t316 * t316; in func_pol()
1638 …1 / 0.2e1 - 0.5e1 / 0.27e2 * t7 * t1259 * t31 * t2076 - t7 * t175 * t31 * t2081 / 0.2e1 - 0.5e1 / … in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 1416 t2081 = t657*t472
1422 t2081*t575*t2082
2302 t5280 = (2*t147*t149*t5147) - 0.3600000000e2_dp*t2081*t4760 &
2451 t5628 = 0.3600000000e2_dp*t2081*t4760*t425
2770 - 0.3600000000e2_dp*t2081*t575*t673*t237 + 0.1800000000e2_dp* &
2773 t6490 = -t5783 - 0.3600000000e2_dp*t2081*t4764*t2082 - 0.2400000000e2_dp &
4192 t2081 = t657*t472
4198 t2081*t575*t2082
5078 t5280 = (2*t147*t149*t5147) - 0.3600000000e2_dp*t2081*t4760 &
5227 t5628 = 0.3600000000e2_dp*t2081*t4760*t425
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 1416 t2081 = t657*t472
1422 t2081*t575*t2082
2302 t5280 = (2*t147*t149*t5147) - 0.3600000000e2_dp*t2081*t4760 &
2451 t5628 = 0.3600000000e2_dp*t2081*t4760*t425
2770 - 0.3600000000e2_dp*t2081*t575*t673*t237 + 0.1800000000e2_dp* &
2773 t6490 = -t5783 - 0.3600000000e2_dp*t2081*t4764*t2082 - 0.2400000000e2_dp &
4192 t2081 = t657*t472
4198 t2081*t575*t2082
5078 t5280 = (2*t147*t149*t5147) - 0.3600000000e2_dp*t2081*t4760 &
5227 t5628 = 0.3600000000e2_dp*t2081*t4760*t425
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_rscan.c | 1841 t2081 = t597 * t2080; in func_unpol()
1842 t2082 = t5 * t2081; in func_unpol()
17197 t2081 = t728 * t728; in func_pol()
17198 t2082 = t2080 * t2081; in func_pol()
17278 t2289 = t2288 * t2081; in func_pol()
17282 t2297 = t2296 * t2081; in func_pol()
19274 t6434 = t22 * t2081; in func_pol()
19306 t6509 = t2081 * t728; in func_pol()
19383 t6703 = t803 * t2081; in func_pol()
24220 t20303 = t2081 * t2081; in func_pol()
[all …]
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| H A D | hyb_mgga_x_dldf.c | 1178 double t2081, t2083, t2087, t2089, t2092, t2093, t2096, t2097; in func_pol() local
2671 …t2081 = 0.23450660000000000000e1 * t658 - 0.98882360000000000000e1 * t2061 * tau[0] - 0.5366265600… in func_pol()
2672 t2083 = t131 * t36 * t2081; in func_pol()
3753 …t2081 * t120 - 0.19279355000000000000e0 * t644 * t645 * t760 * t315 + 0.10493440240101030139e-1 * … in func_pol()
3765 … * t1735 * t302 * t5653 * t183 - 0.19279355000000000000e0 * t644 * t645 * t2081 * t183 - 0.1927935… in func_pol()
4131 …03338709277e0 * t236 * t136 * t598 * t760 - 0.50433024387520159789e-1 * t236 * t136 * t237 * t2081; in func_pol()
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| H A D | mgga_x_sa_tpss.c | 3856 double t2060, t2062, t2064, t2066, t2074, t2075, t2080, t2081; in func_ferr() local
4956 t2081 = t2080 * t22; in func_ferr()
7498 double t2060, t2069, t2081, t2094, t2098, t2106, t2121, t2123; in func_pol() local
9231 t2081 = t286 * t24; in func_pol()
9505 …t2800 = -0.5e1 / 0.144e3 * t2691 - 0.5e1 / 0.648e3 * t2694 + t255 * t2081 * t2399 / 0.9e1 + 0.5e1 … in func_pol()
13594 t16391 = t2081 * t14302; in func_pol()
13646 t16821 = t2081 * t14265; in func_pol()
14225 t20578 = t2081 * t19004; in func_pol()
14228 t20587 = t2081 * t19008; in func_pol()
14544 t22618 = t2081 * t22616 * t945; in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 99 double t2075, t2078, t2081, t2088, t2093, t2098, t2101, t2106; in func_unpol() local
789 t2081 = t380 * t162; in func_unpol()
794 … - 0.80e2 / 0.9e1 * t47 * t2078 - 0.200e3 / 0.9e1 * t65 * t2081 - 0.80e2 / 0.3e1 * t204 * t2081 - … in func_unpol()
808 …0.440e3 / 0.9e1 * t143 * t2109 - 0.200e3 / 0.9e1 * t125 * t2081 - 0.80e2 / 0.3e1 * t292 * t2081 - … in func_unpol()
1439 double t2065, t2066, t2071, t2072, t2081, t2082, t2087, t2088; in func_ferr() local
2112 t2081 = t68 * t469; in func_ferr()
2113 t2082 = t2081 * tau[0]; in func_ferr()
2483 …t90 * t4816 + 0.2600e4 / 0.9e1 * t562 * t2103 + 0.1300e4 / 0.3e1 * t573 * t2081 + 0.14300e5 / 0.9e… in func_ferr()
2484 …971 = 0.2340e4 * t219 * t2019 + 0.2600e4 / 0.9e1 * t54 * t2081 + 0.6500e4 / 0.9e1 * t190 * t2081 +… in func_ferr()
2493 …t2081 + 0.1820e4 / 0.3e1 * t720 * t2065 + 0.1300e4 / 0.3e1 * t120 * t2065 + 0.1040e4 * t275 * t206… in func_ferr()
[all …]
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| H A D | mgga_k_pc07.c | 4054 double t2062, t2070, t2071, t2074, t2075, t2078, t2081, t2084; in func_ferr() local
5237 t2081 = t643 * t137; in func_ferr()
6253 …t2081 * t978 - 0.522743778e1 * t1246 * t6460 - 0.16902397317852e2 * t4632 * t6463 - 0.281706621964… in func_ferr()
6827 … * t2081 * t1394 - 0.1568231334e2 * t2081 * t1397 + 0.12676797988389e2 * t7131 * t2040 + 0.8451198… in func_ferr()
7047 …1 * t2081 * t1647 - 0.522743778e1 * t2081 * t1651 + 0.4225599329463e1 * t7131 * t2264 + 0.28170662… in func_ferr()
7488 …t2081 * t2071 - 0.50707191953556e2 * t2084 * t2071 + 0.6272925336e2 * t10213 * t457 + 0.2732610574… in func_ferr()
7588 …t2081 * t2259 - 0.12676797988389e2 * t554 * t10419 + 0.68315264359428321e1 * t2283 * t10355 - 0.15… in func_ferr()
7662 …t2081 * t2811 + 0.22771754786476107e1 * t2084 * t2811 + 0.2817066219642e1 * t6481 * t2828 + 0.4554… in func_ferr()
7992 double t2061, t2062, t2065, t2066, t2076, t2077, t2081, t2082; in func_pol() local
9950 t2081 = t622 * t237; in func_pol()
[all …]
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| H A D | mgga_x_ms.c | 2808 double t2055, t2068, t2074, t2075, t2080, t2081, t2082, t2083; in func_pol() local
4261 t2081 = t117 * t124; in func_pol()
4262 t2082 = t2081 * t87; in func_pol()
4415 t2423 = t2081 * t97; in func_pol()
4573 t2712 = t2081 * t961; in func_pol()
4740 t2946 = t2081 * t1036; in func_pol()
4851 t3115 = t2081 * t1101; in func_pol()
5598 … t241 - 0.100e3 / 0.9e1 * t1667 * t616 - 0.2000000e7 / 0.6561e4 * t2080 * t2081 * t623 + 0.4000000… in func_pol()
5760 …000e6 / 0.6561e4 * t2080 * t5011 * t776 + 0.125000e6 / 0.6561e4 * t2711 * t2081 * t2129 + 0.550e3 … in func_pol()
5766 …0.250000e6 / 0.6561e4 * t6139 * t2082 - 0.1000000e7 / 0.19683e5 * t2080 * t2081 * t228 + 0.125000e… in func_pol()
[all …]
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| H A D | mgga_x_scan.c | 124 double t2071, t2074, t2077, t2081, t2082, t2083, t2085, t2087; in func_unpol() local
1042 t2081 = 0.1e1 / t127; in func_unpol()
1043 t2082 = t50 * t2081; in func_unpol()
1046 t2087 = t2081 * t136; in func_unpol()
1052 t2113 = params->c1 * t2081; in func_unpol()
1054 t2118 = t526 * t424 * t2081 * t18; in func_unpol()
1221 t3223 = t2081 * t30; in func_unpol()
1355 …t2081 * t4333 - 0.500e3 / 0.27e2 * t2028 + 0.2500e4 / 0.243e3 * t422 * t1024 * t2081 * t4333 - 0.5… in func_unpol()
1628 double t2066, t2068, t2070, t2073, t2076, t2077, t2078, t2081; in func_ferr() local
2527 t2081 = t248 * t811; in func_ferr()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn.c | 846 double t2018, t2022, t2032, t2036, t2048, t2052, t2081, t2083; in func_pol() local
1913 t2081 = t2032 * t1325; in func_pol()
1914 t2083 = 0.26860754033147841838e1 * t1321 * t129 * t2081; in func_pol()
1924 t2112 = 0.37129640917784654576e3 * t1322 * t2081; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_2d_prp10.c | 1329 double t2059, t2067, t2070, t2071, t2072, t2075, t2080, t2081; in func_pol() local
2659 t2081 = t313 * t806; in func_pol()
2665 …1 * t2075 + 0.3e1 / 0.4e1 * t312 * t313 * t1794 - 0.3e1 / 0.4e1 * t2080 * t2081 - 0.3e1 / 0.2e1 * … in func_pol()
3073 …t2638 = -0.3e1 / 0.4e1 * t2609 * t2081 - 0.3e1 / 0.2e1 * t2612 * t2086 + 0.3e1 / 0.2e1 * t2612 * t… in func_pol()
3313 …91 * t171 * t108 / 0.2e1) * t678 * t447 / 0.4e1 - 0.3e1 / 0.4e1 * t2897 * t2081 - 0.3e1 / 0.2e1 * … in func_pol()
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