| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | mgga.c | 103 assert(v3tau3 != NULL); in xc_mgga()
126 libxc_memset(v3tau3, 0, dim->v3tau3 *np*sizeof(double)); in xc_mgga()
310 double *v3tau3) { in xc_mgga_exc_vxc_fxc_kxc() argument
317 v3lapltau2, v3tau3, in xc_mgga_exc_vxc_fxc_kxc()
336 double *v3tau3) { in xc_mgga_vxc_fxc_kxc() argument
343 v3lapltau2, v3tau3, in xc_mgga_vxc_fxc_kxc()
394 double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, double *v3tau3) in xc_mgga_kxc() argument
401 v3lapltau2, v3tau3, in xc_mgga_kxc()
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| H A D | util.c | 273 dim->v3lapl3 = dim->v3tau3 = dim->v3rho2lapl = dim->v3rho2tau = dim->v3rholapl2 = 1; in internal_counters_set_mgga()
313 dim->v3tau3 = 4; in internal_counters_set_mgga()
567 *v3tau3 += pos*dim->v3tau3 + offset; in internal_counters_mgga_random()
661 *v3tau3 += dim->v3tau3 + offset; in internal_counters_mgga_next()
755 *v3tau3 -= dim->v3tau3 + offset; in internal_counters_mgga_prev()
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| H A D | libxc_master.F90 | 635 v3lapltau2(*), v3tau3(*) local
692 v3lapltau2(*), v3tau3(*) local
1336 v3lapltau2(*), v3tau3(*) local
1404 v3lapltau2, v3tau3) argument
1415 v3lapltau2(*), v3tau3(*) local
1423 v3lapltau2, v3tau3)
1457 v3lapltau2, v3tau3) argument
1468 v3lapltau2(*), v3tau3(*) local
1476 v3lapltau2, v3tau3)
1498 v3lapltau2, v3tau3) argument
[all …]
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| H A D | xc.h | 102 P_ v3lapl2tau, P_ v3lapltau2, P_ v3tau3, \
321 double *v3tau3);
338 double *v3tau3);
350 double *v3tau3);
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| H A D | mix_func.c | 232 v3tau3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3tau3); in xc_mix_func()
386 sum_var(v3tau3); in xc_mix_func()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1210 v3lapltau2, v3tau3, &
1964 v3lapltau2, v3tau3, & argument
1983 v3lapltau2(*), v3tau3(*) local
1999 v3lapltau2, v3tau3, &
2051 v3lapltau2, v3tau3) argument
2062 v3lapltau2(*), v3tau3(*) local
2070 v3lapltau2, v3tau3)
2104 v3lapltau2, v3tau3) argument
2123 v3lapltau2, v3tau3)
2145 v3lapltau2, v3tau3) argument
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_xc_lp90.c | 202 v3tau3[0] = 0.0e0; in func_unpol()
517 v3tau3[0] = 0.0e0; in func_ferr()
1666 v3tau3[0] = 0.0e0; in func_pol()
1669 v3tau3[1] = 0.0e0; in func_pol()
1672 v3tau3[2] = 0.0e0; in func_pol()
1675 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_xc_zlp.c | 231 v3tau3[0] = 0.0e0; in func_unpol()
577 v3tau3[0] = 0.0e0; in func_ferr()
1762 v3tau3[0] = 0.0e0; in func_pol()
1765 v3tau3[1] = 0.0e0; in func_pol()
1768 v3tau3[2] = 0.0e0; in func_pol()
1771 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_x_gdme.c | 217 v3tau3[0] = 0.0e0; in func_unpol()
546 v3tau3[0] = 0.0e0; in func_ferr()
2007 v3tau3[0] = 0.0e0; in func_pol()
2010 v3tau3[1] = 0.0e0; in func_pol()
2013 v3tau3[2] = 0.0e0; in func_pol()
2016 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_x_lta.c | 219 …v3tau3[0] = -0.3e1 / 0.16e2 * t41 * t116 + 0.9e1 / 0.16e2 * t41 * t120 - 0.3e1 / 0.8e1 * t41 * t12… in func_unpol()
549 … v3tau3[0] = -0.3e1 / 0.8e1 * t35 * t108 + 0.9e1 / 0.8e1 * t35 * t112 - 0.3e1 / 0.4e1 * t35 * t116; in func_ferr()
2004 …v3tau3[0] = -0.3e1 / 0.8e1 * t113 * t955 + 0.9e1 / 0.8e1 * t113 * t959 - 0.3e1 / 0.4e1 * t113 * t9… in func_pol()
2007 v3tau3[1] = 0.0e0; in func_pol()
2010 v3tau3[2] = 0.0e0; in func_pol()
2020 …v3tau3[3] = -0.3e1 / 0.8e1 * t113 * t969 + 0.9e1 / 0.8e1 * t113 * t973 - 0.3e1 / 0.4e1 * t113 * t9… in func_pol()
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| H A D | mgga_x_rlda.c | 287 v3tau3[0] = -0.3e1 / 0.16e2 * t40 * t290; in func_unpol()
715 v3tau3[0] = -0.3e1 / 0.8e1 * t34 * t279; in func_ferr()
2274 v3tau3[0] = -0.3e1 / 0.8e1 * t145 * t1303; in func_pol()
2277 v3tau3[1] = 0.0e0; in func_pol()
2280 v3tau3[2] = 0.0e0; in func_pol()
2285 v3tau3[3] = -0.3e1 / 0.8e1 * t145 * t1308; in func_pol()
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| H A D | mgga_c_cs.c | 240 v3tau3[0] = 0.0e0; in func_unpol()
501 v3tau3[0] = 0.0e0; in func_ferr()
2132 v3tau3[0] = 0.0e0; in func_pol()
2135 v3tau3[1] = 0.0e0; in func_pol()
2138 v3tau3[2] = 0.0e0; in func_pol()
2141 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_x_2d_js17.c | 287 v3tau3[0] = 0.0e0; in func_unpol()
698 v3tau3[0] = 0.0e0; in func_ferr()
2311 v3tau3[0] = 0.0e0; in func_pol()
2314 v3tau3[1] = 0.0e0; in func_pol()
2317 v3tau3[2] = 0.0e0; in func_pol()
2320 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_x_gvt4.c | 428 v3tau3[0] = t59 * t636 / 0.2e1; in func_unpol()
1027 v3tau3[0] = t50 * t583; in func_ferr()
2884 v3tau3[0] = t218 * t1766; in func_pol()
2887 v3tau3[1] = 0.0e0; in func_pol()
2890 v3tau3[2] = 0.0e0; in func_pol()
2895 v3tau3[3] = t231 * t1776; in func_pol()
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| H A D | mgga_x_pkzb.c | 365 v3tau3[0] = -0.72721800000000000000e0 * t64 * t460 + 0.26215760000000000000e-1 * t428 * t447; in func_unpol()
854 v3tau3[0] = -0.14544360000000000000e1 * t59 * t434 + 0.13107880000000000000e-1 * t404 * t422; in func_ferr()
2770 … v3tau3[0] = -0.14544360000000000000e1 * t216 * t1794 + 0.13107880000000000000e-1 * t1523 * t1797; in func_pol()
2773 v3tau3[1] = 0.0e0; in func_pol()
2776 v3tau3[2] = 0.0e0; in func_pol()
2782 … v3tau3[3] = -0.14544360000000000000e1 * t216 * t1802 + 0.13107880000000000000e-1 * t1574 * t1805; in func_pol()
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| H A D | hyb_mgga_x_dldf.c | 381 v3tau3[0] = -0.72297581250000000000e-1 * t80 * t545; in func_unpol()
881 v3tau3[0] = -0.14459516250000000000e0 * t74 * t513; in func_ferr()
2955 v3tau3[0] = -0.14459516250000000000e0 * t249 * t2166; in func_pol()
2958 v3tau3[1] = 0.0e0; in func_pol()
2961 v3tau3[2] = 0.0e0; in func_pol()
2967 v3tau3[3] = -0.14459516250000000000e0 * t249 * t2182; in func_pol()
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| H A D | mgga_xc_cc06.c | 334 v3tau3[0] = 0.0e0; in func_unpol()
799 v3tau3[0] = 0.0e0; in func_ferr()
2737 v3tau3[0] = 0.0e0; in func_pol()
2740 v3tau3[1] = 0.0e0; in func_pol()
2743 v3tau3[2] = 0.0e0; in func_pol()
2746 v3tau3[3] = 0.0e0; in func_pol()
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| H A D | mgga_x_tau_hcth.c | 472 v3tau3[0] = -0.3e1 / 0.16e2 * t103 * t997; in func_unpol()
1103 v3tau3[0] = -0.3e1 / 0.8e1 * t215 * t958; in func_ferr()
3071 v3tau3[0] = -0.3e1 / 0.8e1 * t377 * t2675; in func_pol()
3074 v3tau3[1] = 0.0e0; in func_pol()
3077 v3tau3[2] = 0.0e0; in func_pol()
3083 v3tau3[3] = -0.3e1 / 0.8e1 * t377 * t2693; in func_pol()
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| H A D | mgga_x_gx.c | 830 v3tau3[0] = -0.3e1 / 0.16e2 * t73 * t1389; in func_unpol()
1954 v3tau3[0] = -0.3e1 / 0.8e1 * t68 * t1309; in func_ferr()
4621 v3tau3[0] = -0.3e1 / 0.8e1 * t275 * t3303; in func_pol()
4624 v3tau3[1] = 0.0e0; in func_pol()
4627 v3tau3[2] = 0.0e0; in func_pol()
4638 v3tau3[3] = -0.3e1 / 0.8e1 * t275 * t3346; in func_pol()
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| H A D | hyb_mgga_x_m05.c | 730 v3tau3[0] = -0.3e1 / 0.16e2 * t129 * t1714; in func_unpol()
1766 v3tau3[0] = -0.3e1 / 0.8e1 * t123 * t1727; in func_ferr()
4700 v3tau3[0] = -0.3e1 / 0.8e1 * t466 * t4458; in func_pol()
4703 v3tau3[1] = 0.0e0; in func_pol()
4706 v3tau3[2] = 0.0e0; in func_pol()
4725 v3tau3[3] = -0.3e1 / 0.8e1 * t466 * t4564; in func_pol()
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| H A D | mgga_x_mvs.c | 660 v3tau3[0] = -0.3e1 / 0.16e2 * t79 * t1103; in func_unpol()
1530 v3tau3[0] = -0.3e1 / 0.8e1 * t73 * t1068; in func_ferr()
4505 v3tau3[0] = -0.3e1 / 0.8e1 * t321 * t3330; in func_pol()
4508 v3tau3[1] = 0.0e0; in func_pol()
4511 v3tau3[2] = 0.0e0; in func_pol()
4519 v3tau3[3] = -0.3e1 / 0.8e1 * t321 * t3355; in func_pol()
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| H A D | mgga_x_pbe_gx.c | 893 v3tau3[0] = -0.3e1 / 0.16e2 * t70 * t1558; in func_unpol()
2062 v3tau3[0] = -0.3e1 / 0.8e1 * t66 * t1443; in func_ferr()
5413 v3tau3[0] = -0.3e1 / 0.8e1 * t358 * t4087; in func_pol()
5416 v3tau3[1] = 0.0e0; in func_pol()
5419 v3tau3[2] = 0.0e0; in func_pol()
5430 v3tau3[3] = -0.3e1 / 0.8e1 * t358 * t4128; in func_pol()
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| H A D | mgga_x_m06l.c | 956 v3tau3[0] = -0.3e1 / 0.16e2 * t155 * t2384; in func_unpol()
2295 v3tau3[0] = -0.3e1 / 0.8e1 * t146 * t2371; in func_ferr()
5439 v3tau3[0] = -0.3e1 / 0.8e1 * t581 * t5345; in func_pol()
5442 v3tau3[1] = 0.0e0; in func_pol()
5445 v3tau3[2] = 0.0e0; in func_pol()
5466 v3tau3[3] = -0.3e1 / 0.8e1 * t581 * t5466; in func_pol()
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| H A D | mgga_x_mvsb.c | 824 v3tau3[0] = -0.3e1 / 0.16e2 * t77 * t1597; in func_unpol()
1920 v3tau3[0] = -0.3e1 / 0.8e1 * t71 * t1576; in func_ferr()
5307 v3tau3[0] = -0.3e1 / 0.8e1 * t356 * t4322; in func_pol()
5310 v3tau3[1] = 0.0e0; in func_pol()
5313 v3tau3[2] = 0.0e0; in func_pol()
5330 v3tau3[3] = -0.3e1 / 0.8e1 * t356 * t4375; in func_pol()
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| H A D | mgga_x_ms.c | 936 v3tau3[0] = -0.3e1 / 0.16e2 * t77 * t1521; in func_unpol()
2277 v3tau3[0] = -0.3e1 / 0.8e1 * t71 * t1484; in func_ferr()
5336 v3tau3[0] = -0.3e1 / 0.8e1 * t274 * t3652; in func_pol()
5339 v3tau3[1] = 0.0e0; in func_pol()
5342 v3tau3[2] = 0.0e0; in func_pol()
5363 v3tau3[3] = -0.3e1 / 0.8e1 * t274 * t3695; in func_pol()
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