/dports/science/libxc/libxc-5.0.0/src/ |
H A D | util.c | 286 dim->v4lapl2tau2 = dim->v4lapltau3 = dim->v4tau4 =1; in internal_counters_set_mgga() 345 dim->v4tau4 = 5; in internal_counters_set_mgga() 602 *v4tau4 += pos*dim->v4tau4 + offset; in internal_counters_mgga_random() 696 *v4tau4 += dim->v4tau4 + offset; in internal_counters_mgga_next() 790 *v4tau4 -= dim->v4tau4 + offset; in internal_counters_mgga_prev()
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H A D | mgga.c | 156 assert(v4tau4 != NULL); in xc_mgga() 195 libxc_memset(v4tau4, 0, dim->v4tau4 *np*sizeof(double)); in xc_mgga() 419 double *v4lapl2tau2, double *v4lapltau3, double *v4tau4) in xc_mgga_lxc() argument 433 v4lapl2tau2, v4lapltau3, v4tau4 in xc_mgga_lxc()
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H A D | libxc_master.F90 | 622 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 643 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 770 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 783 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1324 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1344 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1359 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1522 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1534 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1543 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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H A D | xc.h | 111 P_ v4lapl2tau2, P_ v4lapltau3, P_ v4tau4 367 double *v4lapl2tau2, double *v4lapltau3, double *v4tau4);
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H A D | mix_func.c | 273 v4tau4_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4tau4); in xc_mix_func() 432 sum_var(v4tau4); in xc_mix_func()
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/dports/science/elk/elk-7.2.42/src/ |
H A D | libxcf90.f90 | 1217 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1238 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1365 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1378 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1971 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1991 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 2006 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 2169 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 2181 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 2190 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_xc_lp90.c | 312 v4tau4[0] = 0.0e0; in func_unpol() 627 v4tau4[0] = 0.0e0; in func_ferr() 3312 v4tau4[0] = 0.0e0; in func_pol() 3315 v4tau4[1] = 0.0e0; in func_pol() 3318 v4tau4[2] = 0.0e0; in func_pol() 3321 v4tau4[3] = 0.0e0; in func_pol() 3324 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_xc_zlp.c | 343 v4tau4[0] = 0.0e0; in func_unpol() 689 v4tau4[0] = 0.0e0; in func_ferr() 3416 v4tau4[0] = 0.0e0; in func_pol() 3419 v4tau4[1] = 0.0e0; in func_pol() 3422 v4tau4[2] = 0.0e0; in func_pol() 3425 v4tau4[3] = 0.0e0; in func_pol() 3428 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_x_gdme.c | 329 v4tau4[0] = 0.0e0; in func_unpol() 658 v4tau4[0] = 0.0e0; in func_ferr() 3731 v4tau4[0] = 0.0e0; in func_pol() 3734 v4tau4[1] = 0.0e0; in func_pol() 3737 v4tau4[2] = 0.0e0; in func_pol() 3740 v4tau4[3] = 0.0e0; in func_pol() 3743 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_x_lta.c | 336 …v4tau4[0] = -0.3e1 / 0.16e2 * t41 * t42 * t145 * t182 + 0.9e1 / 0.8e1 * t41 * t42 * t91 * t182 - 0… in func_unpol() 665 …v4tau4[0] = -0.3e1 / 0.8e1 * t35 * t29 * t138 * t172 + 0.9e1 / 0.4e1 * t35 * t29 * t85 * t172 - 0.… in func_ferr() 3753 …v4tau4[0] = -0.3e1 / 0.8e1 * t113 * t114 * t1025 * t2760 + 0.9e1 / 0.4e1 * t113 * t114 * t355 * t2… in func_pol() 3756 v4tau4[1] = 0.0e0; in func_pol() 3759 v4tau4[2] = 0.0e0; in func_pol() 3762 v4tau4[3] = 0.0e0; in func_pol() 3767 …v4tau4[4] = -0.3e1 / 0.8e1 * t113 * t120 * t1025 * t2778 + 0.9e1 / 0.4e1 * t113 * t120 * t355 * t2… in func_pol()
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H A D | mgga_x_rlda.c | 433 v4tau4[0] = -0.3e1 / 0.16e2 * t40 * t41 * t527; in func_unpol() 861 v4tau4[0] = -0.3e1 / 0.8e1 * t34 * t35 * t509; in func_ferr() 4070 v4tau4[0] = -0.3e1 / 0.8e1 * t145 * t146 * t3439; in func_pol() 4073 v4tau4[1] = 0.0e0; in func_pol() 4076 v4tau4[2] = 0.0e0; in func_pol() 4079 v4tau4[3] = 0.0e0; in func_pol() 4083 v4tau4[4] = -0.3e1 / 0.8e1 * t145 * t155 * t3444; in func_pol()
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H A D | mgga_c_cs.c | 357 v4tau4[0] = 0.0e0; in func_unpol() 611 v4tau4[0] = 0.0e0; in func_ferr() 4349 v4tau4[0] = 0.0e0; in func_pol() 4352 v4tau4[1] = 0.0e0; in func_pol() 4355 v4tau4[2] = 0.0e0; in func_pol() 4358 v4tau4[3] = 0.0e0; in func_pol() 4361 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_x_2d_js17.c | 422 v4tau4[0] = 0.0e0; in func_unpol() 836 v4tau4[0] = 0.0e0; in func_ferr() 4132 v4tau4[0] = 0.0e0; in func_pol() 4135 v4tau4[1] = 0.0e0; in func_pol() 4138 v4tau4[2] = 0.0e0; in func_pol() 4141 v4tau4[3] = 0.0e0; in func_pol() 4144 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_x_gvt4.c | 613 …v4tau4[0] = t59 * (0.11218679240724768037e-4 * t190 * t666 * t3 + 0.93364203350517047330e-7 * t704… in func_unpol() 1202 …v4tau4[0] = t50 * (0.28046698101811920091e-5 * t167 * t593 + 0.23341050837629261832e-7 * t650 * t5… in func_ferr() 4733 …v4tau4[0] = t218 * (0.28046698101811920091e-5 * t351 * t1876 + 0.23341050837629261832e-7 * t1952 *… in func_pol() 4736 v4tau4[1] = 0.0e0; in func_pol() 4739 v4tau4[2] = 0.0e0; in func_pol() 4742 v4tau4[3] = 0.0e0; in func_pol() 4745 …v4tau4[4] = t231 * (0.28046698101811920091e-5 * t481 * t2657 + 0.23341050837629261832e-7 * t2719 *… in func_pol()
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H A D | mgga_x_pkzb.c | 504 …v4tau4[0] = 0.29088720000000000000e1 * t64 * t65 * t489 * t929 - 0.15729456000000000000e0 * t428 *… in func_unpol() 993 …v4tau4[0] = 0.58177440000000000000e1 * t59 * t466 * t884 - 0.78647280000000000000e-1 * t404 * t863… in func_ferr() 4691 …v4tau4[0] = 0.58177440000000000000e1 * t216 * t217 * t1965 * t5457 - 0.78647280000000000000e-1 * t… in func_pol() 4694 v4tau4[1] = 0.0e0; in func_pol() 4697 v4tau4[2] = 0.0e0; in func_pol() 4700 v4tau4[3] = 0.0e0; in func_pol() 4704 …v4tau4[4] = 0.58177440000000000000e1 * t216 * t231 * t2954 * t5469 - 0.78647280000000000000e-1 * t… in func_pol()
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H A D | hyb_mgga_x_dldf.c | 527 …v4tau4[0] = -0.72297581250000000000e-1 * t80 * t81 * t30 * (-0.1999856736e3 * t520 * t55 * t10 - 0… in func_unpol() 1018 …v4tau4[0] = -0.14459516250000000000e0 * t74 * t75 * (-0.499964184e2 * t490 * t51 - 0.2371836024e3 … in func_ferr() 4928 …v4tau4[0] = -0.14459516250000000000e0 * t249 * t131 * t36 * (-0.499964184e2 * t2344 * t60 - 0.2371… in func_pol() 4931 v4tau4[1] = 0.0e0; in func_pol() 4934 v4tau4[2] = 0.0e0; in func_pol() 4937 v4tau4[3] = 0.0e0; in func_pol() 4940 …v4tau4[4] = -0.14459516250000000000e0 * t249 * t193 * t84 * (-0.499964184e2 * t3834 * t105 - 0.237… in func_pol()
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H A D | mgga_xc_cc06.c | 465 v4tau4[0] = 0.0e0; in func_unpol() 930 v4tau4[0] = 0.0e0; in func_ferr() 4820 v4tau4[0] = 0.0e0; in func_pol() 4823 v4tau4[1] = 0.0e0; in func_pol() 4826 v4tau4[2] = 0.0e0; in func_pol() 4829 v4tau4[3] = 0.0e0; in func_pol() 4832 v4tau4[4] = 0.0e0; in func_pol()
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H A D | mgga_x_tau_hcth.c | 639 …v4tau4[0] = -0.3e1 / 0.16e2 * t103 * t104 * t65 * (-0.480e3 * t1086 * t169 * t10 - 0.2880e4 * t101… in func_unpol() 1265 …v4tau4[0] = -0.3e1 / 0.8e1 * t215 * t216 * (0.4200e4 * t1033 * t1092 + 0.1680e4 * t1038 * t1092 - … in func_ferr() 4933 …v4tau4[0] = -0.3e1 / 0.8e1 * t377 * t378 * t69 * (-0.120e3 * t2906 * t254 - 0.720e3 * t2867 * t290… in func_pol() 4936 v4tau4[1] = 0.0e0; in func_pol() 4939 v4tau4[2] = 0.0e0; in func_pol() 4942 v4tau4[3] = 0.0e0; in func_pol() 4945 …v4tau4[4] = -0.3e1 / 0.8e1 * t377 * t419 * t149 * (-0.120e3 * t3819 * t355 - 0.720e3 * t3751 * t38… in func_pol()
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H A D | mgga_x_gx.c | 1194 …v4tau4[0] = -0.3e1 / 0.16e2 * t73 * t74 * ((0.40000e5 / 0.729e3 * t3192 * t1524 * t2930 - 0.40000e… in func_unpol() 2250 …v4tau4[0] = -0.3e1 / 0.8e1 * t68 * t69 * ((0.10000e5 / 0.729e3 * t3034 * t1469 * t1471 - 0.10000e5… in func_ferr() 6720 …v4tau4[0] = -0.3e1 / 0.8e1 * t275 * t276 * ((0.10000e5 / 0.729e3 * t8470 * t3463 * t3465 - 0.10000… in func_pol() 6723 v4tau4[1] = 0.0e0; in func_pol() 6726 v4tau4[2] = 0.0e0; in func_pol() 6729 v4tau4[3] = 0.0e0; in func_pol() 6733 …v4tau4[4] = -0.3e1 / 0.8e1 * t275 * t305 * ((0.10000e5 / 0.729e3 * t8518 * t4514 * t3465 - 0.10000… in func_pol()
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H A D | hyb_mgga_x_m05.c | 1013 v4tau4[0] = -0.3e1 / 0.16e2 * t129 * t130 * t31 * (t3243 + t3274 + t3304 + t3333); in func_unpol() 2055 v4tau4[0] = -0.3e1 / 0.8e1 * t123 * t124 * t27 * (t3298 + t3326 + t3353 + t3384); in func_ferr() 7016 v4tau4[0] = -0.3e1 / 0.8e1 * t466 * t467 * t37 * (t10811 + t10838 + t10864 + t10897); in func_pol() 7019 v4tau4[1] = 0.0e0; in func_pol() 7022 v4tau4[2] = 0.0e0; in func_pol() 7025 v4tau4[3] = 0.0e0; in func_pol() 7042 v4tau4[4] = -0.3e1 / 0.8e1 * t466 * t529 * t132 * (t10936 + t10962 + t10989 + t11021); in func_pol()
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H A D | mgga_x_mvs.c | 922 …v4tau4[0] = -0.3e1 / 0.16e2 * t79 * t80 * (0.25e2 / 0.16e2 * t156 * t2570 - 0.25e2 / 0.12e2 * t845… in func_unpol() 1793 …v4tau4[0] = -0.3e1 / 0.8e1 * t73 * t7 * (0.25e2 / 0.16e2 * t313 * t2258 - 0.25e2 / 0.12e2 * t313 *… in func_ferr() 6963 …v4tau4[0] = -0.3e1 / 0.8e1 * t321 * t322 * (0.25e2 / 0.16e2 * t862 * t9485 - 0.25e2 / 0.12e2 * t86… in func_pol() 6966 v4tau4[1] = 0.0e0; in func_pol() 6969 v4tau4[2] = 0.0e0; in func_pol() 6972 v4tau4[3] = 0.0e0; in func_pol() 6977 …v4tau4[4] = -0.3e1 / 0.8e1 * t321 * t341 * (0.25e2 / 0.16e2 * t907 * t9556 - 0.25e2 / 0.12e2 * t90… in func_pol()
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H A D | mgga_x_pbe_gx.c | 1244 …v4tau4[0] = -0.3e1 / 0.16e2 * t70 * t71 * ((-0.24146874276636348383e0 * t1401 * t260 * t42 * t3328… in func_unpol() 2353 …v4tau4[0] = -0.3e1 / 0.8e1 * t66 * t7 * ((-0.60367185691590870959e-1 * t1295 * t241 * t621 + 0.765… in func_ferr() 7852 …v4tau4[0] = -0.3e1 / 0.8e1 * t358 * t193 * ((-0.60367185691590870959e-1 * t4247 * t497 * t1556 + 0… in func_pol() 7855 v4tau4[1] = 0.0e0; in func_pol() 7858 v4tau4[2] = 0.0e0; in func_pol() 7861 v4tau4[3] = 0.0e0; in func_pol() 7864 …v4tau4[4] = -0.3e1 / 0.8e1 * t358 * t277 * ((-0.60367185691590870959e-1 * t5777 * t709 * t1556 + 0… in func_pol()
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H A D | mgga_x_m06l.c | 1324 …v4tau4[0] = -0.3e1 / 0.16e2 * t155 * t156 * (t30 * (t4756 + t4791 + t4817 + t4844) + 0.18672840670… in func_unpol() 2660 …v4tau4[0] = -0.3e1 / 0.8e1 * t146 * t147 * (t26 * (t4758 + t4783 + t4809 + t4842) + 0.466821016752… in func_ferr() 7675 …v4tau4[0] = -0.3e1 / 0.8e1 * t581 * t582 * (t36 * (t11873 + t11902 + t11929 + t11960) + 0.46682101… in func_pol() 7678 v4tau4[1] = 0.0e0; in func_pol() 7681 v4tau4[2] = 0.0e0; in func_pol() 7684 v4tau4[3] = 0.0e0; in func_pol() 7701 …v4tau4[4] = -0.3e1 / 0.8e1 * t581 * t606 * (t169 * (t12014 + t12042 + t12068 + t12099) + 0.4668210… in func_pol()
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H A D | mgga_x_mvsb.c | 1120 v4tau4[0] = -0.3e1 / 0.16e2 * t77 * t78 * t4051 * t69; in func_unpol() 2207 v4tau4[0] = -0.3e1 / 0.8e1 * t71 * t7 * t4003 * t64; in func_ferr() 7823 v4tau4[0] = -0.3e1 / 0.8e1 * t356 * t357 * t12926 * t73; in func_pol() 7826 v4tau4[1] = 0.0e0; in func_pol() 7829 v4tau4[2] = 0.0e0; in func_pol() 7832 v4tau4[3] = 0.0e0; in func_pol() 7841 v4tau4[4] = -0.3e1 / 0.8e1 * t356 * t386 * t12994 * t126; in func_pol()
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H A D | mgga_x_ms.c | 1361 v4tau4[0] = -0.3e1 / 0.16e2 * t77 * t78 * t5061; in func_unpol() 2645 v4tau4[0] = -0.3e1 / 0.8e1 * t71 * t72 * t4969; in func_ferr() 7596 v4tau4[0] = -0.3e1 / 0.8e1 * t274 * t275 * t12235; in func_pol() 7599 v4tau4[1] = 0.0e0; in func_pol() 7602 v4tau4[2] = 0.0e0; in func_pol() 7605 v4tau4[3] = 0.0e0; in func_pol() 7611 v4tau4[4] = -0.3e1 / 0.8e1 * t274 * t299 * t12297; in func_pol()
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