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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_b97.F622 t374, t375, t376, t377, t396, t4, t40, t410, t42, t424, t43, t431, t433, t435, t437, & local
969 t431 = alpha_crhob*f
978 epsilon_c_unifrhob = e_c_u_0rhob + t431*t110 + t433*t110 - &
1270 … *frhoarhob*t110 - 0.4e1_dp*t287*t435 - 0.4e1_dp*t431* &
1383 … t110 + alpha_crhob*f1rhob*t110 - 0.4e1_dp*t431*t435 + &
1639 t374, t375, t376, t377, t396, t4, t40, t410, t42, t424, t43, t431, t433, t435, t437, & local
1986 t431 = alpha_crhob*f
1995 epsilon_c_unifrhob = e_c_u_0rhob + t431*t110 + t433*t110 - &
2287 … *frhoarhob*t110 - 0.4e1_dp*t287*t435 - 0.4e1_dp*t431* &
2400 … t110 + alpha_crhob*f1rhob*t110 - 0.4e1_dp*t431*t435 + &
H A Dxc_xpbe_hole_t_c_lr.F497 t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & local
709 t431 = t430*t331
743 … *t426 - 0.112e3_dp/0.15e2_dp*t142*t431 + t60*t370) + REAL(4* &
767t431 + REAL(2*t129*t524, KIND=dp) - REAL(2*t181*t527, KIND=dp)) - 0.64e2_dp/ &
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_c_lm.c52 double t416, t419, t425, t431, t435, t437, t440, t441; in func_unpol() local
289t431 = t125 * (0.32473884243452793756e0 * t416 * t132 - 0.54123140405754656260e-1 * t419 * t104 * … in func_unpol()
291 v3rhosigma2[0] = t412 * t257 / 0.108e3 + t124 * t431 / 0.144e3; in func_unpol()
331 …v4rho2sigma2[0] = t25 * t36 * t9 * t257 / 0.324e3 + t412 * t431 / 0.54e2 + t124 * t125 * t706 / 0.… in func_unpol()
393 double t415, t418, t422, t423, t426, t427, t431, t436; in func_ferr() local
626 t431 = t58 * t219 * t65; in func_ferr()
627 …7061570202877328130e-1 * t257 * t427 - 0.27061570202877328130e-1 * t257 * t431 - 0.308e3 / 0.81e2 … in func_ferr()
747 double t422, t427, t428, t431, t433, t434, t450, t452; in func_pol() local
1222 t431 = t103 * t103; in func_pol()
1223 t433 = 0.1e1 / t105 / t431; in func_pol()
[all …]
H A Dgga_x_pbea.c402 double t431, t433, t435, t436, t437, t438, t439, t440; in func_pol() local
844 t431 = t63 * t165; in func_pol()
845 t433 = t69 * t431 * t172; in func_pol()
1260 t1072 = t69 * t431 * t454; in func_pol()
1265 t1104 = t142 * t431 * t487; in func_pol()
1331 t1388 = t142 * t431 * t510; in func_pol()
1452 t2220 = t69 * t431 * t317; in func_pol()
H A Dgga_x_ityh.c1614 t431 = t249 * t6; in func_ferr()
1616 t434 = t431 * t432 * t110; in func_ferr()
1688 t637 = t636 * t431; in func_ferr()
1790 t966 = t431 * t754; in func_ferr()
1838 t1157 = t431 * t432 * t311; in func_ferr()
1915 t1448 = t431 * t432 * t480; in func_ferr()
1964 t1672 = t666 * t431; in func_ferr()
1996 t1764 = t431 * t432 * t629; in func_ferr()
2102 t2364 = t431 * t2325; in func_ferr()
2104 t2370 = t431 * t2317; in func_ferr()
[all …]
H A Dgga_x_q2d.c52 double t411, t413, t418, t425, t426, t431, t433, t438; in func_unpol() local
296 t431 = t177 * t247; in func_unpol()
764 t431 = t430 * t30; in func_ferr()
1529 t431 = 0.1e1 / t187 / t71; in func_pol()
1530 t432 = t62 * t431; in func_pol()
1972 t1108 = t179 * t431; in func_pol()
2295 t1662 = t288 * t431; in func_pol()
2974 t2870 = t421 * t431; in func_pol()
3227 t4563 = t675 * t431; in func_pol()
3282 t4827 = t431 * t434; in func_pol()
[all …]
H A Dgga_k_meyer.c54 double t428, t429, t430, t431, t435, t439, t440, t442; in func_unpol() local
327 t431 = t178 * t72; in func_unpol()
335 …5 * t417 * t175 * t178 + t424 / 0.729e3 - 0.2e1 / 0.729e3 * t429 * t430 * t431 - 0.7e1 / 0.243e3 *… in func_unpol()
384 …168 * t69 * t72 + t561 * t563 / 0.972e3 - t568 / 0.1944e4 + t429 * t560 * t431 * t24 / 0.972e3 + 0… in func_unpol()
413 … - t673 * t674 * t175 * t178 / 0.2592e4 + t681 / 0.5184e4 - t429 * t683 * t431 / 0.2592e4 - t177 *… in func_unpol()
465 … - t803 * t314 / 0.1152e4 + t806 * t809 / 0.6912e4 - t815 + t429 * t816 * t431 / 0.6912e4 - t177 *… in func_unpol()
505 t977 = t431 * t2 * t705; in func_unpol()
1229 double t429, t431, t432, t433, t435, t437, t440, t443; in func_pol() local
1652 t431 = t6 * t429 * t100; in func_pol()
1653 t432 = t431 / 0.15e2; in func_pol()
[all …]
H A Dgga_k_llp.c367 double t431, t440, t444, t445, t450; in func_ferr() local
560 t431 = 0.1e1 / t125; in func_ferr()
562 …t444 = 0.3e1 / 0.8e1 * t21 * t426 * t24 * t26 - 0.3e1 / 0.8e1 * t21 * t431 * t20 * t61 - t21 * t19… in func_ferr()
597 ….2e1 / 0.9e1 * t49 * t50 * t52 * (-t21 * t426 * t54 * t26 / 0.2e1 + t21 * t431 * t43 * t61 / 0.2e1… in func_ferr()
604 …* t26 + 0.15e2 / 0.16e2 * t21 / t268 * t20 * t61 + 0.5e1 / 0.16e2 * t21 * t431 * t204 * t131 + 0.3… in func_ferr()
663 double t419, t420, t424, t426, t427, t428, t431, t433; in func_pol() local
1026 t431 = t6 * t18 * t201; in func_pol()
1039 v2rhosigma[0] = t431 / 0.2e1 + t433 * t434 * t87 / 0.2e1 + 0.3e1 / 0.10e2 * t184 * t185 * t472; in func_pol()
1051 v2rhosigma[3] = t433 * t482 / 0.2e1 + t431 / 0.2e1; in func_pol()
H A Dgga_x_am05.c2085 t432 = t307 * t431; in func_pol()
2369 t990 = t748 * t431; in func_pol()
2370 t994 = t754 * t431; in func_pol()
2419 t1109 = t306 * t431; in func_pol()
2422 t1129 = t431 * t431; in func_pol()
2907 t2225 = t1875 * t431 * t756; in func_pol()
3048 t2599 = t2260 * t431; in func_pol()
3143 t2859 = t1129 * t431; in func_pol()
3573 t5247 = t307 * t431 * t18 * t23; in func_pol()
3574 t5251 = t42 * t4409 * t431; in func_pol()
[all …]
H A Dgga_x_lcgau.c1055 double t424, t425, t427, t431, t432, t433, t434, t440; in func_pol() local
1388 t431 = t100 * t427 - 0.2e1 / 0.3e1 * t100 * t366; in func_pol()
1389 t432 = t97 * t431; in func_pol()
1708 t1320 = t431 * t431; in func_pol()
1713 t1343 = t1240 * t98 * t431; in func_pol()
1715 t1350 = t431 * t102; in func_pol()
1858 …t2311 = -0.2e1 * t2 * t431 * t102 * t88 * t50 * t2270 + 0.36e2 * t2275 * t2277 - 0.2e1 / 0.3e1 * t… in func_pol()
1865 …* t314 + t838 * t839 * t2112 * t102 * t109 / 0.2e1 + t838 * t839 * t786 * t431 * t433 / 0.2e1 + t8… in func_pol()
H A Dgga_x_pbeint.c378 double t415, t418, t420, t423, t424, t431, t436, t440; in func_ferr() local
591 t431 = t144 * sigma[0]; in func_ferr()
593 t440 = (t142 * t144 * t220 * t152 / 0.384e3 - t282 * t431 * t436 / 0.9216e4) * t11; in func_ferr()
631 …3e1 / 0.8e1 * t48 * t50 * t52 * ((-t282 * t144 * t436 / 0.2304e4 + t516 * t431 / t7 / t286 * t525 … in func_ferr()
692 double t429, t430, t431, t433, t434, t435, t436, t438; in func_pol() local
1087 t431 = t83 * t430; in func_pol()
1088 t433 = t7 * t347 * t431; in func_pol()
1371 t928 = t7 * t775 * t431; in func_pol()
1840 t2189 = t7 * t1685 * t431; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_tb09.c2542 t431 = t139 * t102; in func_ferr()
2543 t432 = t54 * t431; in func_ferr()
2981 t1660 = t226 * t431; in func_ferr()
2984 t1667 = t237 * t431; in func_ferr()
4808 t432 = t401 * t431; in func_pol()
4830 t469 = t29 * t431; in func_pol()
4837 t484 = t26 * t431; in func_pol()
4854 t518 = t423 * t431; in func_pol()
5707 t2106 = t2105 * t431; in func_pol()
5733 t2189 = t2188 * t431; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_xc_teter93.c367 double t415, t416, t417, t425, t426, t427, t428, t431; in func_pol() local
642 t431 = t214 * t127; in func_pol()
643 t432 = t431 * t239; in func_pol()
803 …* t108 * t426 * t215 * t239 - 0.6e1 * t108 * t214 * t840 - 0.8e1 * t108 * t431 * t459 - 0.4e1 * t8… in func_pol()
H A Dlda_c_vwn_3.c57 double t424, t425, t426, t431, t432, t459, t461, t464; in func_unpol() local
307 t431 = t248 * rho[0]; in func_unpol()
308 t432 = 0.1e1 / t431; in func_unpol()
319 t488 = 0.1e1 / t7 / t431; in func_unpol()
403 double t424, t425, t426, t431, t432, t457, t459, t462; in func_ferr() local
653 t431 = t248 * rho[0]; in func_ferr()
654 t432 = 0.1e1 / t431; in func_ferr()
665 t486 = 0.1e1 / t7 / t431; in func_ferr()
752 double t428, t429, t430, t431, t434, t435, t436, t437; in func_pol() local
1279 t431 = t370 / 0.12e2; in func_pol()
[all …]
/dports/science/buddy/buddy-2.4/examples/bddcalc/examples/
H A Dc1908.cal443 t431 = t430 nand t416;
447 t435 = t431 and t434;
H A Dc2670.cal455 t431 = t427 or t430;
456 t432 = t431 and t160;
619 t595 = t431 nand t594;
620 t596 = not t431;
/dports/math/spot/spot-2.10.2/buddy/examples/bddcalc/examples/
H A Dc1908.cal443 t431 = t430 nand t416;
447 t435 = t431 and t434;
H A Dc2670.cal455 t431 = t427 or t430;
456 t432 = t431 and t160;
619 t595 = t431 nand t594;
620 t596 = not t431;
/dports/math/py-spot/spot-2.10.2/buddy/examples/bddcalc/examples/
H A Dc1908.cal443 t431 = t430 nand t416;
447 t435 = t431 and t434;
H A Dc2670.cal455 t431 = t427 or t430;
456 t432 = t431 and t160;
619 t595 = t431 nand t594;
620 t596 = not t431;
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xpbe_hole_t_c_lr.F497 t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & local
709 t431 = t430*t331
743 … *t426 - 0.112e3_dp/0.15e2_dp*t142*t431 + t60*t370) + REAL(4* &
767t431 + REAL(2*t129*t524, KIND=dp) - REAL(2*t181*t527, KIND=dp)) - 0.64e2_dp/ &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_c_scan.c5420 t431 = t168 * t420; in func_pol()
5421 t432 = t431 * t423; in func_pol()
5490 t556 = t431 * t551; in func_pol()
5630 t744 = t431 * t725; in func_pol()
6034 t1477 = t431 * t1453; in func_pol()
6135 t1697 = t431 * t1682; in func_pol()
6214 t1803 = t431 * t1802; in func_pol()
6314 t1931 = t431 * t1930; in func_pol()
6426 t2106 = t431 * t2105; in func_pol()
6775 t2599 = t431 * t2579; in func_pol()
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-hcth120.c1263 real t428, t429, t430, t431, t432, t433, t434; in hcth120_third() local
1930 t431 = -24.0*t82*t84; in hcth120_third()
2083 .0197517897025652*(t431+t430+t429-240.0*t127*t273)*t81*t86* in hcth120_third()
2683 real t428, t429, t430, t431, t432, t433, t434; in hcth120_fourth() local
3394 t431 = -4.36336574074074*t14*t15*t16*t408-3.757288888888889* in hcth120_fourth()
3397 t432 = -.5848223397455204*t81*t85*t431*t86*t110*t90*t111; in hcth120_fourth()
3975 t632 = -2.339289358982082*t81*t85*t431*t86*t110*t90*t111; in hcth120_fourth()
4048 69.26302359750346*t81*t85*t431*t109*t86*t245*t90*t246; in hcth120_fourth()
4060 t81*t85*t431*t109*t86*t249*t90*t111; in hcth120_fourth()
4061 t693 = .0867486470622522*t81*t1*t2*t3*t103*t85*t431*t110* in hcth120_fourth()
[all …]
H A Dfun-hcth407.c1263 real t428, t429, t430, t431, t432, t433, t434; in hcth407_third() local
1929 t431 = -24.0*t82*t84; in hcth407_third()
2082 .0197517897025652*(t431+t430+t429-240.0*t127*t273)*t81*t86* in hcth407_third()
2683 real t428, t429, t430, t431, t432, t433, t434; in hcth407_fourth() local
3393 t431 = -4.36336574074074*t14*t15*t16*t408-3.757288888888889* in hcth407_fourth()
3396 t432 = -.5848223397455204*t81*t85*t431*t86*t110*t90*t111; in hcth407_fourth()
3973 t632 = -2.339289358982082*t81*t85*t431*t86*t110*t90*t111; in hcth407_fourth()
4046 69.26302359750346*t81*t85*t431*t109*t86*t245*t90*t246; in hcth407_fourth()
4058 t81*t85*t431*t109*t86*t249*t90*t111; in hcth407_fourth()
4059 t693 = .0867486470622522*t81*t1*t2*t3*t103*t85*t431*t110* in hcth407_fourth()
[all …]
H A Dfun-hcth407p.c1267 real t428, t429, t430, t431, t432, t433, t434; in hcth407p_third() local
1931 t431 = -24.0*t82*t84; in hcth407p_third()
2083 0.019751789702565*(t431+t430+t429-240.0*t127*t273)*t81*t86* in hcth407p_third()
2680 real t428, t429, t430, t431, t432, t433, t434; in hcth407p_fourth() local
3388 t431 = -4.36336574074074*t14*t15*t16*t408-3.757288888888889* in hcth407p_fourth()
3391 t432 = -0.58482233974552*t81*t85*t431*t86*t110*t90*t111; in hcth407p_fourth()
3968 t632 = -2.339289358982082*t81*t85*t431*t86*t110*t90*t111; in hcth407p_fourth()
4041 69.26302359750346*t81*t85*t431*t109*t86*t245*t90*t246; in hcth407p_fourth()
4053 t81*t85*t431*t109*t86*t249*t90*t111; in hcth407p_fourth()
4054 t693 = 0.086748647062252*t81*t1*t2*t3*t103*t85*t431*t110* in hcth407p_fourth()
[all …]

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