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Searched refs:v4sigmatau3 (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c285 dim->v4sigmalapltau2 = dim->v4sigmatau3 = dim->v4lapl4 = dim->v4lapl3tau = 1; in internal_counters_set_mgga()
340 dim->v4sigmatau3 = 3*4; in internal_counters_set_mgga()
601 *v4sigmatau3 += pos*dim->v4sigmatau3 + offset; in internal_counters_mgga_random()
695 *v4sigmatau3 += dim->v4sigmatau3 + offset; in internal_counters_mgga_next()
789 *v4sigmatau3 -= dim->v4sigmatau3 + offset; in internal_counters_mgga_prev()
H A Dmgga.c155 assert(v4sigmatau3 != NULL); in xc_mgga()
194 libxc_memset(v4sigmatau3, 0, dim->v4sigmatau3 *np*sizeof(double)); in xc_mgga()
418 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau, in xc_mgga_lxc() argument
432 v4sigmalapltau2, v4sigmatau3, v4lapl4, v4lapl3tau, in xc_mgga_lxc()
H A Dlibxc_master.F90621 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
642 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
769 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
782 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1323 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1343 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1358 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1521 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1533 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1542 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
H A Dxc.h110 P_ v4sigmalapltau2, P_ v4sigmatau3, P_ v4lapl4, P_ v4lapl3tau, \
366 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau,
H A Dmix_func.c268 v4sigmatau3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigmatau3); in xc_mix_func()
431 sum_var(v4sigmatau3); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901216 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1237 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1364 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1377 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1970 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1990 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
2005 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
2168 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
2180 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
2189 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c297 v4sigmatau3[0] = 0.0e0; in func_unpol()
612 v4sigmatau3[0] = 0.0e0; in func_ferr()
3186 v4sigmatau3[0] = 0.0e0; in func_pol()
3189 v4sigmatau3[1] = 0.0e0; in func_pol()
3192 v4sigmatau3[2] = 0.0e0; in func_pol()
3195 v4sigmatau3[3] = 0.0e0; in func_pol()
3198 v4sigmatau3[4] = 0.0e0; in func_pol()
3201 v4sigmatau3[5] = 0.0e0; in func_pol()
3204 v4sigmatau3[6] = 0.0e0; in func_pol()
3207 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_zlp.c328 v4sigmatau3[0] = 0.0e0; in func_unpol()
674 v4sigmatau3[0] = 0.0e0; in func_ferr()
3290 v4sigmatau3[0] = 0.0e0; in func_pol()
3293 v4sigmatau3[1] = 0.0e0; in func_pol()
3296 v4sigmatau3[2] = 0.0e0; in func_pol()
3299 v4sigmatau3[3] = 0.0e0; in func_pol()
3302 v4sigmatau3[4] = 0.0e0; in func_pol()
3305 v4sigmatau3[5] = 0.0e0; in func_pol()
3308 v4sigmatau3[6] = 0.0e0; in func_pol()
3311 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gdme.c314 v4sigmatau3[0] = 0.0e0; in func_unpol()
643 v4sigmatau3[0] = 0.0e0; in func_ferr()
3605 v4sigmatau3[0] = 0.0e0; in func_pol()
3608 v4sigmatau3[1] = 0.0e0; in func_pol()
3611 v4sigmatau3[2] = 0.0e0; in func_pol()
3614 v4sigmatau3[3] = 0.0e0; in func_pol()
3617 v4sigmatau3[4] = 0.0e0; in func_pol()
3620 v4sigmatau3[5] = 0.0e0; in func_pol()
3623 v4sigmatau3[6] = 0.0e0; in func_pol()
3626 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c319 v4sigmatau3[0] = 0.0e0; in func_unpol()
648 v4sigmatau3[0] = 0.0e0; in func_ferr()
3625 v4sigmatau3[0] = 0.0e0; in func_pol()
3628 v4sigmatau3[1] = 0.0e0; in func_pol()
3631 v4sigmatau3[2] = 0.0e0; in func_pol()
3634 v4sigmatau3[3] = 0.0e0; in func_pol()
3637 v4sigmatau3[4] = 0.0e0; in func_pol()
3640 v4sigmatau3[5] = 0.0e0; in func_pol()
3643 v4sigmatau3[6] = 0.0e0; in func_pol()
3646 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_rlda.c412 v4sigmatau3[0] = 0.0e0; in func_unpol()
840 v4sigmatau3[0] = 0.0e0; in func_ferr()
3933 v4sigmatau3[0] = 0.0e0; in func_pol()
3936 v4sigmatau3[1] = 0.0e0; in func_pol()
3939 v4sigmatau3[2] = 0.0e0; in func_pol()
3942 v4sigmatau3[3] = 0.0e0; in func_pol()
3945 v4sigmatau3[4] = 0.0e0; in func_pol()
3948 v4sigmatau3[5] = 0.0e0; in func_pol()
3951 v4sigmatau3[6] = 0.0e0; in func_pol()
3954 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_c_cs.c342 v4sigmatau3[0] = 0.0e0; in func_unpol()
596 v4sigmatau3[0] = 0.0e0; in func_ferr()
4223 v4sigmatau3[0] = 0.0e0; in func_pol()
4226 v4sigmatau3[1] = 0.0e0; in func_pol()
4229 v4sigmatau3[2] = 0.0e0; in func_pol()
4232 v4sigmatau3[3] = 0.0e0; in func_pol()
4235 v4sigmatau3[4] = 0.0e0; in func_pol()
4238 v4sigmatau3[5] = 0.0e0; in func_pol()
4241 v4sigmatau3[6] = 0.0e0; in func_pol()
4244 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_2d_js17.c407 v4sigmatau3[0] = 0.0e0; in func_unpol()
821 v4sigmatau3[0] = 0.0e0; in func_ferr()
4006 v4sigmatau3[0] = 0.0e0; in func_pol()
4009 v4sigmatau3[1] = 0.0e0; in func_pol()
4012 v4sigmatau3[2] = 0.0e0; in func_pol()
4015 v4sigmatau3[3] = 0.0e0; in func_pol()
4018 v4sigmatau3[4] = 0.0e0; in func_pol()
4021 v4sigmatau3[5] = 0.0e0; in func_pol()
4024 v4sigmatau3[6] = 0.0e0; in func_pol()
4027 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gvt4.c1187 …v4sigmatau3[0] = t50 * (0.56785012863453639905e-6 * t167 * t1225 + 0.11670525418814630916e-7 * t65… in func_ferr()
4609 v4sigmatau3[1] = 0.0e0; in func_pol()
4612 v4sigmatau3[2] = 0.0e0; in func_pol()
4615 v4sigmatau3[3] = 0.0e0; in func_pol()
4618 v4sigmatau3[4] = 0.0e0; in func_pol()
4621 v4sigmatau3[5] = 0.0e0; in func_pol()
4624 v4sigmatau3[6] = 0.0e0; in func_pol()
4627 v4sigmatau3[7] = 0.0e0; in func_pol()
4630 v4sigmatau3[8] = 0.0e0; in func_pol()
4633 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_pkzb.c977 …v4sigmatau3[0] = 0.58177440000000000000e1 * t59 * t466 * t433 * t100 + 0.87385866666666666667e-2 *… in func_ferr()
4567 v4sigmatau3[1] = 0.0e0; in func_pol()
4570 v4sigmatau3[2] = 0.0e0; in func_pol()
4573 v4sigmatau3[3] = 0.0e0; in func_pol()
4576 v4sigmatau3[4] = 0.0e0; in func_pol()
4579 v4sigmatau3[5] = 0.0e0; in func_pol()
4582 v4sigmatau3[6] = 0.0e0; in func_pol()
4585 v4sigmatau3[7] = 0.0e0; in func_pol()
4588 v4sigmatau3[8] = 0.0e0; in func_pol()
4591 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_dldf.c1003 v4sigmatau3[0] = -0.50433024387520159789e-1 * t99 * t66 * t14 * t512; in func_ferr()
4805 v4sigmatau3[1] = 0.0e0; in func_pol()
4808 v4sigmatau3[2] = 0.0e0; in func_pol()
4811 v4sigmatau3[3] = 0.0e0; in func_pol()
4814 v4sigmatau3[4] = 0.0e0; in func_pol()
4817 v4sigmatau3[5] = 0.0e0; in func_pol()
4820 v4sigmatau3[6] = 0.0e0; in func_pol()
4823 v4sigmatau3[7] = 0.0e0; in func_pol()
4826 v4sigmatau3[8] = 0.0e0; in func_pol()
4829 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c449 v4sigmatau3[0] = 0.0e0; in func_unpol()
914 v4sigmatau3[0] = 0.0e0; in func_ferr()
4690 v4sigmatau3[0] = 0.0e0; in func_pol()
4693 v4sigmatau3[1] = 0.0e0; in func_pol()
4696 v4sigmatau3[2] = 0.0e0; in func_pol()
4699 v4sigmatau3[3] = 0.0e0; in func_pol()
4702 v4sigmatau3[4] = 0.0e0; in func_pol()
4705 v4sigmatau3[5] = 0.0e0; in func_pol()
4708 v4sigmatau3[6] = 0.0e0; in func_pol()
4711 v4sigmatau3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_tau_hcth.c1250 v4sigmatau3[0] = -0.3e1 / 0.8e1 * t215 * t486 * t957; in func_ferr()
4810 v4sigmatau3[1] = 0.0e0; in func_pol()
4813 v4sigmatau3[2] = 0.0e0; in func_pol()
4816 v4sigmatau3[3] = 0.0e0; in func_pol()
4819 v4sigmatau3[4] = 0.0e0; in func_pol()
4822 v4sigmatau3[5] = 0.0e0; in func_pol()
4825 v4sigmatau3[6] = 0.0e0; in func_pol()
4828 v4sigmatau3[7] = 0.0e0; in func_pol()
4831 v4sigmatau3[8] = 0.0e0; in func_pol()
4834 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_gx.c2234 v4sigmatau3[0] = -0.3e1 / 0.8e1 * t68 * t69 * t3030; in func_ferr()
6593 v4sigmatau3[1] = 0.0e0; in func_pol()
6596 v4sigmatau3[2] = 0.0e0; in func_pol()
6599 v4sigmatau3[3] = 0.0e0; in func_pol()
6602 v4sigmatau3[4] = 0.0e0; in func_pol()
6605 v4sigmatau3[5] = 0.0e0; in func_pol()
6608 v4sigmatau3[6] = 0.0e0; in func_pol()
6611 v4sigmatau3[7] = 0.0e0; in func_pol()
6614 v4sigmatau3[8] = 0.0e0; in func_pol()
6617 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_m05.c984 v4sigmatau3[0] = -0.22171561036648138393e-2 * t221 * t120 * t19 * t1712; in func_unpol()
6879 v4sigmatau3[1] = 0.0e0; in func_pol()
6882 v4sigmatau3[2] = 0.0e0; in func_pol()
6885 v4sigmatau3[3] = 0.0e0; in func_pol()
6888 v4sigmatau3[4] = 0.0e0; in func_pol()
6891 v4sigmatau3[5] = 0.0e0; in func_pol()
6894 v4sigmatau3[6] = 0.0e0; in func_pol()
6897 v4sigmatau3[7] = 0.0e0; in func_pol()
6900 v4sigmatau3[8] = 0.0e0; in func_pol()
6903 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_mvs.c6833 v4sigmatau3[0] = -0.3e1 / 0.8e1 * t321 * t322 * t10038 * t75 + t9531 * t291 / 0.6144e4; in func_pol()
6836 v4sigmatau3[1] = 0.0e0; in func_pol()
6839 v4sigmatau3[2] = 0.0e0; in func_pol()
6842 v4sigmatau3[3] = 0.0e0; in func_pol()
6845 v4sigmatau3[4] = 0.0e0; in func_pol()
6848 v4sigmatau3[5] = 0.0e0; in func_pol()
6851 v4sigmatau3[6] = 0.0e0; in func_pol()
6854 v4sigmatau3[7] = 0.0e0; in func_pol()
6857 v4sigmatau3[8] = 0.0e0; in func_pol()
6860 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_pbe_gx.c2338 …v4sigmatau3[0] = -0.3e1 / 0.8e1 * t66 * t7 * t3392 * t59 + 0.38083087500000000000e-3 * t162 * t144… in func_ferr()
7727 v4sigmatau3[1] = 0.0e0; in func_pol()
7730 v4sigmatau3[2] = 0.0e0; in func_pol()
7733 v4sigmatau3[3] = 0.0e0; in func_pol()
7736 v4sigmatau3[4] = 0.0e0; in func_pol()
7739 v4sigmatau3[5] = 0.0e0; in func_pol()
7742 v4sigmatau3[6] = 0.0e0; in func_pol()
7745 v4sigmatau3[7] = 0.0e0; in func_pol()
7748 v4sigmatau3[8] = 0.0e0; in func_pol()
7751 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_m06l.c1295 …v4sigmatau3[0] = -0.3e1 / 0.16e2 * t155 * t156 * (0.59124162764395035716e-2 * t160 * t116 * t2367 … in func_unpol()
7538 v4sigmatau3[1] = 0.0e0; in func_pol()
7541 v4sigmatau3[2] = 0.0e0; in func_pol()
7544 v4sigmatau3[3] = 0.0e0; in func_pol()
7547 v4sigmatau3[4] = 0.0e0; in func_pol()
7550 v4sigmatau3[5] = 0.0e0; in func_pol()
7553 v4sigmatau3[6] = 0.0e0; in func_pol()
7556 v4sigmatau3[7] = 0.0e0; in func_pol()
7559 v4sigmatau3[8] = 0.0e0; in func_pol()
7562 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c1098 …v4sigmatau3[0] = -0.3e1 / 0.16e2 * t77 * t78 * (-0.3e1 * t140 * t3513 * t51 - t1552 * t155 / 0.4e1… in func_unpol()
7693 v4sigmatau3[1] = 0.0e0; in func_pol()
7696 v4sigmatau3[2] = 0.0e0; in func_pol()
7699 v4sigmatau3[3] = 0.0e0; in func_pol()
7702 v4sigmatau3[4] = 0.0e0; in func_pol()
7705 v4sigmatau3[5] = 0.0e0; in func_pol()
7708 v4sigmatau3[6] = 0.0e0; in func_pol()
7711 v4sigmatau3[7] = 0.0e0; in func_pol()
7714 v4sigmatau3[8] = 0.0e0; in func_pol()
7717 v4sigmatau3[9] = 0.0e0; in func_pol()
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H A Dmgga_x_ms.c2627 v4sigmatau3[0] = -0.3e1 / 0.8e1 * t71 * t72 * (t4845 + t4906); in func_ferr()
7465 v4sigmatau3[1] = 0.0e0; in func_pol()
7468 v4sigmatau3[2] = 0.0e0; in func_pol()
7471 v4sigmatau3[3] = 0.0e0; in func_pol()
7474 v4sigmatau3[4] = 0.0e0; in func_pol()
7477 v4sigmatau3[5] = 0.0e0; in func_pol()
7480 v4sigmatau3[6] = 0.0e0; in func_pol()
7483 v4sigmatau3[7] = 0.0e0; in func_pol()
7486 v4sigmatau3[8] = 0.0e0; in func_pol()
7489 v4sigmatau3[9] = 0.0e0; in func_pol()
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