| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 183 double t4877, t4904, t4907, t4909, t4911, t4912, t4913, t4914; in func_unpol() local
1572 t4911 = t699 * t710; in func_unpol()
1573 t4912 = 0.2e1 * t4911; in func_unpol()
1824 …t5704 = t5688 - t5689 - t5690 - t5691 - t4911 - t5692 + t5693 + 0.6e1 * t3931 * t800 - 0.3e1 * t39… in func_unpol()
2217 double t4911, t4914, t4917, t4923, t4926, t4927, t4930, t4934; in func_ferr() local
3603 t4911 = t2783 * t759; in func_ferr()
3721 t5191 = 0.4e1 * t4911; in func_ferr()
3828 t5597 = 0.2e1 * t4911; in func_ferr()
4283 double t4899, t4900, t4901, t4902, t4905, t4906, t4907, t4911; in func_pol() local
6605 t4911 = t2207 * t237 * t3166; in func_pol()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 356 t4907, t4908, t4909, t4911, t4915, t4917, t4918, t4920, t4922 local
2192 t4911 = 0.8999999998e1_dp*t1507*t4909
2210 t4958 = t4898 + 0.1800000000e2_dp*t4901 - t4907 + t4911 + t4917 - t4920 &
2705 *t4901 - t4907 + t4911
3135 t4908, t4909, t4911, t4915, t4917, t4918, t4920, t4922, t4925 local
4968 t4911 = 0.8999999998e1_dp*t1507*t4909
4986 t4958 = t4898 + 0.1800000000e2_dp*t4901 - t4907 + t4911 + t4917 - t4920 &
5481 *t4901 - t4907 + t4911
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 356 t4907, t4908, t4909, t4911, t4915, t4917, t4918, t4920, t4922 local
2192 t4911 = 0.8999999998e1_dp*t1507*t4909
2210 t4958 = t4898 + 0.1800000000e2_dp*t4901 - t4907 + t4911 + t4917 - t4920 &
2705 *t4901 - t4907 + t4911
3135 t4908, t4909, t4911, t4915, t4917, t4918, t4920, t4922, t4925 local
4968 t4911 = 0.8999999998e1_dp*t1507*t4909
4986 t4958 = t4898 + 0.1800000000e2_dp*t4901 - t4907 + t4911 + t4917 - t4920 &
5481 *t4901 - t4907 + t4911
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 984 double t4882, t4893, t4900, t4903, t4906, t4908, t4911, t4913; in func_pol() local
3072 t4911 = 0.280e3 / 0.729e3 * t23 * t4908 * t56; in func_pol()
3078 …2e3 / 0.243e3 * t4900 + 0.8e1 / 0.27e2 * t4903 - 0.4e1 / 0.27e2 * t4906 + t4911 + 0.4e1 / 0.27e2 *… in func_pol()
3582 …t7159 = -0.28e2 / 0.81e2 * t4900 + 0.4e1 / 0.27e2 * t4903 - t4906 / 0.27e2 + t4911 + t4913 / 0.27e… in func_pol()
4028 …6e2 / 0.243e3 * t4900 + 0.4e1 / 0.81e2 * t4903 - 0.2e1 / 0.27e2 * t9171 + t4911 + 0.4e1 / 0.81e2 *… in func_pol()
4253 …* t23 * t2146 * t243 * t4229 - 0.28e2 / 0.243e3 * t4900 - t9171 / 0.9e1 + t4911 + 0.4e1 / 0.27e2 *… in func_pol()
4303 …t11978 + 0.16e2 / 0.27e2 * t1119 * t3635 * t4478 + 0.2e1 * t46 * t12064 + t4911 + 0.8e1 / 0.27e2 *… in func_pol()
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| H A D | lda_c_vwn_2.c | 910 double t4867, t4871, t4878, t4892, t4895, t4902, t4909, t4911; in func_pol() local
2476 …t4911 = -t2331 + t2333 - t2334 + t2335 + t2336 + t2337 + t2338 - t2339 + t2340 + t2341 + t2342 - t… in func_pol()
2479 v4rho4[4] = t4816 + t4909 + t4911 + t4917; in func_pol()
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| H A D | lda_x_erf.c | 578 double t4904, t4905, t4910, t4911, t4916, t4917, t4920, t4924; in func_pol() local
2316 t4911 = t4910 / 0.16e2; in func_pol()
2323 …t4932 = -t3788 / 0.8e1 + t4911 + t3791 / 0.6e1 - t3795 / 0.32e2 + t4917 + t3803 / 0.16e2 - t4920 /… in func_pol()
2976 …t9276 = -0.3e1 / 0.8e1 * t115 * t201 * t3253 * t323 - t8652 / 0.8e1 - t6645 / 0.4e1 + t4911 - 0.3e… in func_pol()
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| H A D | lda_c_pk09.c | 2525 double t4909, t4911, t4913, t4914, t4916, t4920, t4924, t4926; in func_pol() local
4988 t4911 = t41 * t236; in func_pol()
4989 t4913 = t276 * t4911 * t46; in func_pol()
5464 t6312 = t420 * t4911 * t50; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m11_l.c | 2240 double t4886, t4889, t4892, t4893, t4910, t4911, t4916, t4917; in func_ferr() local
3323 t4911 = t4910 * tau[0]; in func_ferr()
3354 …t4911 + 0.2860e4 * t190 * t5004 + 0.1200e4 * t2949 * t4917 + 0.1650e4 * t3005 * t4923 + 0.40e2 * t… in func_ferr()
3364 …e4 * t228 * t4911 + 0.2860e4 * t231 * t5004 + 0.350e3 * t3269 * t4951 + 0.560e3 * t3278 * t4957 + … in func_ferr()
4158 double t4907, t4911, t4915, t4916, t4920, t4928, t4929, t4930; in func_pol() local
6331 t4911 = t1004 * t1628; in func_pol()
6332 …1009 * t1532 - t4617 - 0.4e1 / 0.81e2 * t210 * t510 * t4907 + 0.4e1 / 0.27e2 * t210 * t211 * t4911; in func_pol()
8290 t12982 = t210 * t731 * t4911; in func_pol()
8291 t12984 = t4911 * t492; in func_pol()
8327 t13087 = t4911 * t965; in func_pol()
[all …]
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| H A D | mgga_x_br89.c | 260 double t4872, t4878, t4879, t4884, t4893, t4901, t4910, t4911; in func_unpol() local
3481 t4911 = t106 * t4910; in func_unpol()
11863 t48382 = t835 * t4911; in func_unpol()
36720 t4911 = t562 * t4910; in func_pol()
36724 t4915 = t4911 * t4914; in func_pol()
36912 t5108 = t4911 * t5107; in func_pol()
37082 t5284 = t4911 * t5283; in func_pol()
42260 t11881 = t4911 * t11880; in func_pol()
42264 t11885 = t4911 * t11884; in func_pol()
42401 t12027 = t4911 * t12026; in func_pol()
[all …]
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| H A D | mgga_x_ms.c | 2916 double t4902, t4903, t4908, t4910, t4911, t4916, t4917, t4919; in func_pol() local
5578 t4911 = t623 * t623; in func_pol()
5579 …e2 / 0.27e2 * t233 * t234 * t47 * t4894 - t4910 + 0.10000e5 / 0.243e3 * t598 * t599 * t412 * t4911; in func_pol()
5608 …t4911 + 0.2000e4 / 0.81e2 * t638 * t4988 + 0.250e3 / 0.81e2 * t247 * t4894 + 0.2500000e7 / 0.6561e… in func_pol()
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| H A D | mgga_x_tm.c | 171 double t4819, t4830, t4833, t4855, t4880, t4904, t4911, t4919; in func_unpol() local
1490 t4911 = t322 * t689; in func_unpol()
1491 … + 0.36e2 * t4610 + 0.4e1 * t4621 + 0.36e2 * t4830 + 0.18e2 * t4833 + 0.18e2 * t4911 + t693 + t697; in func_unpol()
1493 … * t117 + 0.12e2 * t474 * t1189 + 0.24e2 * t1193 * t469 + 0.12e2 * t124 * t4911 + 0.6e1 * t1718 * … in func_unpol()
4226 double t4900, t4902, t4911, t4913, t4917, t4918, t4924, t4926; in func_pol() local
6534 t4911 = t484 * t1438; in func_pol()
6539 …18e2 * t4821 + 0.18e2 * t4824 + 0.18e2 * t4827 + 0.18e2 * t4830 + 0.2e1 * t4911 + 0.2e1 * t4913 + … in func_pol()
9253 …t4911 - 0.7776e4 * t3403 * t14716 * t1189 + 0.1080e4 * t1209 * t6440 * t334 - 0.838509662551440329… in func_pol()
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| H A D | mgga_x_regtpss.c | 4554 double t4894, t4896, t4902, t4907, t4911, t4913, t4915, t4926; in func_ferr() local
6722 t4911 = t430 * t84; in func_ferr()
6734 …t4911 * t4915 * t1729 * t29 * t572 + 0.12380800e8 / 0.59049e5 * t1573 * t1366 * t4907 * t624 - 0.9… in func_ferr()
6772 t5126 = t4911 * t1480; in func_ferr()
7024 t7013 = t4911 * t513; in func_ferr()
7549 t10972 = t4911 * t204; in func_ferr()
7985 t14647 = t4911 * t86; in func_ferr()
8305 …039764404296874e-3 * t5120 * t17250 - 0.40375433235168457030e-4 * t5125 * t4911 * t1356 * t14639 +… in func_ferr()
8621 double t4911, t4916, t4918, t4923, t4929, t4933, t4938, t4942; in func_pol() local
11628 t4911 = t2419 * t1348; in func_pol()
[all …]
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| H A D | mgga_k_pc07.c | 4140 double t4903, t4906, t4907, t4910, t4911, t4914, t4917, t4919; in func_ferr() local
5963 t4911 = t4910 * t143; in func_ferr()
6171 …138 * t5743 + 0.291006e2 * t343 * t6041 * t967 - 0.1568231334e2 * t1654 * t4911 - 0.76060787930334… in func_ferr()
8114 double t4896, t4897, t4900, t4901, t4902, t4905, t4908, t4911; in func_pol() local
11038 t4911 = t3563 * t386; in func_pol()
13983 … 0.3e1 * t3557 * t4914 + 0.3e1 / 0.2e1 * t12306 * t1582 + 0.3e1 * t3560 * t4911 + 0.3e1 / 0.2e1 * … in func_pol()
13986 …t16618 = 0.3e1 * t12325 * t1582 + 0.3e1 * t3557 * t4911 + 0.25e2 / 0.162e3 * t12243 * t4905 - 0.5e… in func_pol()
15316 … - 0.5e1 / 0.12e2 * t23565 * t4902 + 0.10e2 / 0.9e1 * t4900 * t6768 * t935 + 0.3e1 * t4908 * t4911; in func_pol()
15318 … 0.2e1 * t1206 * t3563 * t1427 + 0.3e1 * t16607 * t1582 + 0.3e1 * t4917 * t4911 + 0.3e1 * t4917 * … in func_pol()
15845 …t4933 + 0.3e1 * t19695 * t1582 + 0.3e1 * t19698 * t1582 + 0.3e1 * t5759 * t4911 + 0.3e1 * t5759 * … in func_pol()
[all …]
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| H A D | hyb_mgga_x_js18.c | 206 double t4821, t4826, t4829, t4883, t4891, t4901, t4906, t4911; in func_unpol() local
1964 … * t2720 * t4614 - 0.3e1 * t860 * t4617 - 0.9e1 / 0.4e1 * t2755 * t4614 + t4911 * t78 - 0.360e3 * … in func_unpol()
3185 t12423 = t4911 * t291; in func_unpol()
4411 double t4888, t4896, t4906, t4911, t4916, t4924, t4927, t4934; in func_ferr() local
6176 t4911 = t122 * t1805; in func_ferr()
8672 double t4901, t4902, t4907, t4911, t4914, t4919, t4923, t4926; in func_pol() local
11978 t4911 = t2784 * t1356; in func_pol()
12019 …t5093 = t1362 * t1034 - 0.6e1 * t478 * t4911 + t33 * t5087 + t5089 * t230 + t1075 * t1496 / 0.10e2; in func_pol()
15889 …t19617 = t5865 * t1034 - 0.12e2 * t4310 * t4911 + 0.2e1 * t1362 * t5087 + 0.54e2 * t1862 * t19238 … in func_pol()
23142 …t70179 = -0.36e2 * t4310 * t19241 + 0.162e3 * t13213 * t19238 - 0.18e2 * t18120 * t4911 + 0.3e1 * … in func_pol()
[all …]
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| H A D | mgga_x_rtpss.c | 3109 double t4903, t4904, t4907, t4908, t4911, t4912, t4915, t4916; in func_pol() local
5837 t4911 = t464 * t1324; in func_pol()
5838 t4912 = t4911 * t256; in func_pol()
7704 …478953e6 / 0.20e2 * t12816 * t4915 * t308 + 0.53217e5 / 0.200e3 * t4179 * t4911 * t308 - 0.73e2 / … in func_pol()
8296 …t4769 - 0.73e2 / 0.400e3 * t12808 * t1662 + 0.53217e5 / 0.200e3 * t4179 * t4911 * t501 - 0.73e2 / … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_pw91.c | 2059 double t4907, t4908, t4909, t4910, t4911, t4913, t4914, t4915; in func_pol() local
5227 t4911 = t1718 * t397; in func_pol()
5228 t4913 = t730 * t4911 * t299; in func_pol()
5412 t5365 = t730 * t4911 * t460; in func_pol()
8120 …795 * t299 - 0.25e2 / 0.2e1 * t14295 + 0.23260393291413087447e-1 * t730 * t4911 * t724 - 0.25e2 / … in func_pol()
8122 … * t14410 - 0.25e2 / 0.2e1 * t14412 + 0.46520786582826174894e-1 * t1141 * t4911 * t736 + 0.1550692… in func_pol()
8444 …04710291488e-2 * t730 * t5261 * t724 + 0.15506928860942058298e-1 * t730 * t4911 * t1115 + t15169 +… in func_pol()
8517 …+ t16194 + t15733 - t16195 - t16196 + 0.31013857721884116596e-1 * t1141 * t4911 * t3006 - 0.155069… in func_pol()
8724 … - 0.25e2 / 0.6e1 * t16269 + t15781 + 0.15506928860942058298e-1 * t1141 * t4911 * t1403 + 0.2e1 * … in func_pol()
8728 …710291488e-2 * t730 * t1723 * t12105 + 0.77534644304710291488e-2 * t730 * t4911 * t1388 - 0.155069… in func_pol()
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| H A D | gga_x_am05.c | 1771 double t4857, t4860, t4869, t4883, t4886, t4905, t4909, t4911; in func_pol() local
3495 t4911 = t7 * t155 * t1948; in func_pol()
3499 …160 - t345 * t622 * t915 * t446 / 0.2e1 - 0.2e1 * t4905 + t4909 - 0.4e1 * t4911 - 0.3e1 / 0.2e1 * … in func_pol()
3521 …- 0.4e1 / 0.9e1 * t4886 - 0.2e1 / 0.3e1 * t4905 + t4909 - 0.4e1 / 0.3e1 * t4911 - t4914 / 0.2e1 - … in func_pol()
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| H A D | gga_x_chachiyo.c | 1447 double t4907, t4909, t4911, t4912, t4914, t4917, t4918, t4924; in func_pol() local
4437 t4911 = t204 * t3933; in func_pol()
4438 t4912 = t4911 * t592; in func_pol()
4902 t7462 = t4911 * t769; in func_pol()
5231 t9310 = t4911 * t865 / 0.972e3; in func_pol()
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| H A D | gga_c_zpbeint.c | 2032 double t4911, t4912, t4913, t4915, t4916, t4917, t4918, t4919; in func_pol() local
5375 t4911 = t3977 * t1517; in func_pol()
5376 t4912 = t1305 * t4911; in func_pol()
8366 t16936 = t4034 * t4911; in func_pol()
8391 t17004 = 0.3e1 / 0.8e1 * t12325 * t4911; in func_pol()
8594 t17814 = 0.3e1 / 0.16e2 * t13837 * t4911; in func_pol()
9068 t20137 = t4896 * t4911; in func_pol()
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| H A D | gga_x_gg99.c | 3697 double t4890, t4894, t4895, t4899, t4903, t4907, t4911, t4912; in func_pol() local
6816 t4911 = t1914 * t1577; in func_pol()
6817 t4912 = t4911 * t198; in func_pol()
8909 t14913 = t4911 * t583; in func_pol()
8912 …19e3 / 0.16e2 * t7049 * t1976 * t14917 + 0.63e2 / 0.16e2 * t1972 * t639 * t4911 * t574 + 0.945e3 /… in func_pol()
9420 …t19044 = 0.3e1 / 0.16e2 * t219 * t598 * t1188 * t4949 + 0.189e3 / 0.16e2 * t1972 * t639 * t4911 * … in func_pol()
9701 … / 0.2e1 * t635 * t222 * t1224 * t6066 + 0.189e3 / 0.8e1 * t1972 * t639 * t4911 * t1569 + 0.81e2 /… in func_pol()
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| H A D | gga_x_ityh.c | 2637 double t4902, t4905, t4907, t4911, t4921, t4922, t4925, t4928; in func_pol() local
4800 t4911 = t164 * t1888 * M_PI; in func_pol()
4803 …* t4898 - 0.8e1 * t4902 * t552 - 0.108e3 * t545 * t4907 + 0.8e1 / 0.3e1 * t4911 * t196 - 0.1120e4 … in func_pol()
5163 … t1044 - 0.4e1 * t4902 * t1035 - 0.18e2 * t1936 * t2878 + 0.2e1 / 0.3e1 * t4911 * t401 + 0.112e3 /… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2099 double t4910, t4911, t4912, t4913, t4914, t4915, t4916, t4919; in func_pol() local
4847 t4911 = 0.16e2 * t4910; in func_pol()
4914 …t5319 = 0.24e2 * t1976 * t333 * t339 + t4903 + t4906 + t4909 - t4911 + t4913 + t4915 - t4919 + t49… in func_pol()
5161 …t6405 = t4903 + t4906 + t4909 - t4911 + t4913 + t4915 - t4919 + t4921 - t5270 - t5275 + t5277 + t5… in func_pol()
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| H A D | gga_c_acggap.c | 201 double t4911, t4915, t4916, t4920, t4921, t4936, t4940, t4948; in func_unpol() local
1646 t4911 = t4910 * t1476; in func_unpol()
1655 …e-3 * t4905 * t1256 * t4906 - 0.47172138434406228102e-3 * t1841 * t1251 * t4911 - 0.12862205435420… in func_unpol()
1711 …e-3 * t1830 * t1245 * t5409 + 0.32155513588552302729e-3 * t1841 * t1256 * t4911 - 0.47172138434406… in func_unpol()
2121 double t4911, t4913, t4918, t4940, t4942, t4949, t4953, t4962; in func_ferr() local
3516 t4911 = 0.1e1 / t4910; in func_ferr()
3517 t4913 = t209 * t306 * t4911; in func_ferr()
3678 t6557 = sigma[0] * t4911; in func_ferr()
4150 double t4896, t4901, t4905, t4908, t4911, t4913, t4914, t4916; in func_pol() local
8655 t4911 = 0.85748036236139473944e-3 * t1030 * t1513; in func_pol()
[all …]
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| H A D | gga_c_sogga11.c | 1608 double t4902, t4911, t4925, t4929, t4936, t4938, t4941, t4948; in func_ferr() local
2681 t4911 = t1903 * t334; in func_ferr()
2688 …045621988130231475e1 * t1988 * t4902 + 0.62045621988130231475e1 * t1982 * t4911 + 0.11574250917278… in func_ferr()
2694 …t4911 + 0.57871254586390817632e0 * t1936 * t4978 - 0.11574250917278163526e1 * t1730 * t929 * t1829… in func_ferr()
2709 …168211957863441665e3 * t1902 * t4987 + 0.37227373192878138885e2 * t1902 * t4911 - 0.54013170947298… in func_ferr()
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| H A D | gga_x_sfat_pbe.c | 3408 double t4901, t4902, t4903, t4904, t4905, t4906, t4907, t4911; in func_pol() local
5900 t4911 = t318 * t4877 * t338; in func_pol()
5901 t4912 = t4911 / 0.2e1; in func_pol()
7488 …+ 0.11824832552879007143e-1 * t5289 - 0.11824832552879007143e-1 * t5292 - t4911 - t12520 + t12524 … in func_pol()
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