| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | util.c | 285 dim->v4sigmalapltau2 = dim->v4sigmatau3 = dim->v4lapl4 = dim->v4lapl3tau = 1; in internal_counters_set_mgga()
341 dim->v4lapl4 = 5; in internal_counters_set_mgga()
588 *v4lapl4 += pos*dim->v4lapl4 + offset; in internal_counters_mgga_random()
682 *v4lapl4 += dim->v4lapl4 + offset; in internal_counters_mgga_next()
776 *v4lapl4 -= dim->v4lapl4 + offset; in internal_counters_mgga_prev()
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| H A D | mgga.c | 175 assert(v4lapl4 != NULL); in xc_mgga()
214 libxc_memset(v4lapl4, 0, dim->v4lapl4 *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()
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| H A D | libxc_master.F90 | 621 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, &
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| H A D | xc.h | 110 P_ v4sigmalapltau2, P_ v4sigmatau3, P_ v4lapl4, P_ v4lapl3tau, \
366 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau,
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| H A D | mix_func.c | 269 v4lapl4_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4lapl4); in xc_mix_func()
418 sum_var(v4lapl4); in xc_mix_func()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1216 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, &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_xc_lp90.c | 300 v4lapl4[0] = 0.0e0; in func_unpol()
615 v4lapl4[0] = 0.0e0; in func_ferr()
3222 v4lapl4[0] = 0.0e0; in func_pol()
3225 v4lapl4[1] = 0.0e0; in func_pol()
3228 v4lapl4[2] = 0.0e0; in func_pol()
3231 v4lapl4[3] = 0.0e0; in func_pol()
3234 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_xc_zlp.c | 331 v4lapl4[0] = 0.0e0; in func_unpol()
677 v4lapl4[0] = 0.0e0; in func_ferr()
3326 v4lapl4[0] = 0.0e0; in func_pol()
3329 v4lapl4[1] = 0.0e0; in func_pol()
3332 v4lapl4[2] = 0.0e0; in func_pol()
3335 v4lapl4[3] = 0.0e0; in func_pol()
3338 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_gdme.c | 317 v4lapl4[0] = 0.0e0; in func_unpol()
646 v4lapl4[0] = 0.0e0; in func_ferr()
3641 v4lapl4[0] = 0.0e0; in func_pol()
3644 v4lapl4[1] = 0.0e0; in func_pol()
3647 v4lapl4[2] = 0.0e0; in func_pol()
3650 v4lapl4[3] = 0.0e0; in func_pol()
3653 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_lta.c | 322 v4lapl4[0] = 0.0e0; in func_unpol()
651 v4lapl4[0] = 0.0e0; in func_ferr()
3661 v4lapl4[0] = 0.0e0; in func_pol()
3664 v4lapl4[1] = 0.0e0; in func_pol()
3667 v4lapl4[2] = 0.0e0; in func_pol()
3670 v4lapl4[3] = 0.0e0; in func_pol()
3673 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_rlda.c | 417 v4lapl4[0] = -0.3e1 / 0.16e2 * t40 * t41 * t507; in func_unpol()
845 v4lapl4[0] = -0.3e1 / 0.8e1 * t34 * t35 * t489; in func_ferr()
3971 v4lapl4[0] = -0.3e1 / 0.8e1 * t145 * t146 * t3394; in func_pol()
3974 v4lapl4[1] = 0.0e0; in func_pol()
3977 v4lapl4[2] = 0.0e0; in func_pol()
3980 v4lapl4[3] = 0.0e0; in func_pol()
3985 v4lapl4[4] = -0.3e1 / 0.8e1 * t145 * t155 * t3404; in func_pol()
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| H A D | mgga_c_cs.c | 345 v4lapl4[0] = 0.0e0; in func_unpol()
599 v4lapl4[0] = 0.0e0; in func_ferr()
4259 v4lapl4[0] = 0.0e0; in func_pol()
4262 v4lapl4[1] = 0.0e0; in func_pol()
4265 v4lapl4[2] = 0.0e0; in func_pol()
4268 v4lapl4[3] = 0.0e0; in func_pol()
4271 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_2d_js17.c | 410 v4lapl4[0] = 0.0e0; in func_unpol()
824 v4lapl4[0] = 0.0e0; in func_ferr()
4042 v4lapl4[0] = 0.0e0; in func_pol()
4045 v4lapl4[1] = 0.0e0; in func_pol()
4048 v4lapl4[2] = 0.0e0; in func_pol()
4051 v4lapl4[3] = 0.0e0; in func_pol()
4054 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_gvt4.c | 600 v4lapl4[0] = 0.0e0; in func_unpol()
1190 v4lapl4[0] = 0.0e0; in func_ferr()
4643 v4lapl4[0] = 0.0e0; in func_pol()
4646 v4lapl4[1] = 0.0e0; in func_pol()
4649 v4lapl4[2] = 0.0e0; in func_pol()
4652 v4lapl4[3] = 0.0e0; in func_pol()
4655 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_pkzb.c | 491 v4lapl4[0] = 0.0e0; in func_unpol()
980 v4lapl4[0] = 0.0e0; in func_ferr()
4600 v4lapl4[0] = 0.0e0; in func_pol()
4603 v4lapl4[1] = 0.0e0; in func_pol()
4606 v4lapl4[2] = 0.0e0; in func_pol()
4609 v4lapl4[3] = 0.0e0; in func_pol()
4612 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_dldf.c | 514 v4lapl4[0] = 0.0e0; in func_unpol()
1006 v4lapl4[0] = 0.0e0; in func_ferr()
4838 v4lapl4[0] = 0.0e0; in func_pol()
4841 v4lapl4[1] = 0.0e0; in func_pol()
4844 v4lapl4[2] = 0.0e0; in func_pol()
4847 v4lapl4[3] = 0.0e0; in func_pol()
4850 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_xc_cc06.c | 453 …v4lapl4[0] = t89 * (-0.48082170339838674114e-7 * t696 * t348 * t90 + 0.15626705360447569087e-6 * t… in func_unpol()
918 …v4lapl4[0] = t86 * (-0.48082170339838674114e-7 * t693 * t345 * t87 + 0.15626705360447569087e-6 * t… in func_ferr()
4728 …v4lapl4[0] = t232 * (-0.48082170339838674114e-7 * t6242 * t6244 * t1286 * t300 + 0.156267053604475… in func_pol()
4731 …v4lapl4[1] = t232 * (-0.48082170339838674114e-7 * t309 * t1286 * t2282 * t2284 * t37 * t254 + 0.15… in func_pol()
4734 …v4lapl4[2] = t232 * (-0.48082170339838674114e-7 * t871 * t6079 * t6081 * t254 + 0.1562670536044756… in func_pol()
4737 …v4lapl4[3] = t232 * (-0.48082170339838674114e-7 * t2314 * t1286 * t37 * t305 + 0.15626705360447569… in func_pol()
4742 …v4lapl4[4] = t232 * (-0.48082170339838674114e-7 * t6283 * t6285 * t1286 * t300 + 0.156267053604475… in func_pol()
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| H A D | mgga_x_tau_hcth.c | 627 v4lapl4[0] = 0.0e0; in func_unpol()
1253 v4lapl4[0] = 0.0e0; in func_ferr()
4843 v4lapl4[0] = 0.0e0; in func_pol()
4846 v4lapl4[1] = 0.0e0; in func_pol()
4849 v4lapl4[2] = 0.0e0; in func_pol()
4852 v4lapl4[3] = 0.0e0; in func_pol()
4855 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_gx.c | 1180 v4lapl4[0] = 0.0e0; in func_unpol()
2237 v4lapl4[0] = 0.0e0; in func_ferr()
6629 v4lapl4[0] = 0.0e0; in func_pol()
6632 v4lapl4[1] = 0.0e0; in func_pol()
6635 v4lapl4[2] = 0.0e0; in func_pol()
6638 v4lapl4[3] = 0.0e0; in func_pol()
6641 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_m05.c | 987 v4lapl4[0] = 0.0e0; in func_unpol()
2029 v4lapl4[0] = 0.0e0; in func_ferr()
6912 v4lapl4[0] = 0.0e0; in func_pol()
6915 v4lapl4[1] = 0.0e0; in func_pol()
6918 v4lapl4[2] = 0.0e0; in func_pol()
6921 v4lapl4[3] = 0.0e0; in func_pol()
6924 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvs.c | 907 v4lapl4[0] = 0.0e0; in func_unpol()
1779 v4lapl4[0] = 0.0e0; in func_ferr()
6871 v4lapl4[0] = 0.0e0; in func_pol()
6874 v4lapl4[1] = 0.0e0; in func_pol()
6877 v4lapl4[2] = 0.0e0; in func_pol()
6880 v4lapl4[3] = 0.0e0; in func_pol()
6883 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_pbe_gx.c | 1231 v4lapl4[0] = 0.0e0; in func_unpol()
2341 v4lapl4[0] = 0.0e0; in func_ferr()
7762 v4lapl4[0] = 0.0e0; in func_pol()
7765 v4lapl4[1] = 0.0e0; in func_pol()
7768 v4lapl4[2] = 0.0e0; in func_pol()
7771 v4lapl4[3] = 0.0e0; in func_pol()
7774 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_m06l.c | 1298 v4lapl4[0] = 0.0e0; in func_unpol()
2634 v4lapl4[0] = 0.0e0; in func_ferr()
7571 v4lapl4[0] = 0.0e0; in func_pol()
7574 v4lapl4[1] = 0.0e0; in func_pol()
7577 v4lapl4[2] = 0.0e0; in func_pol()
7580 v4lapl4[3] = 0.0e0; in func_pol()
7583 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvsb.c | 1101 v4lapl4[0] = 0.0e0; in func_unpol()
2189 v4lapl4[0] = 0.0e0; in func_ferr()
7727 v4lapl4[0] = 0.0e0; in func_pol()
7730 v4lapl4[1] = 0.0e0; in func_pol()
7733 v4lapl4[2] = 0.0e0; in func_pol()
7736 v4lapl4[3] = 0.0e0; in func_pol()
7739 v4lapl4[4] = 0.0e0; in func_pol()
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| H A D | mgga_x_ms.c | 1346 v4lapl4[0] = 0.0e0; in func_unpol()
2630 v4lapl4[0] = 0.0e0; in func_ferr()
7503 v4lapl4[0] = 0.0e0; in func_pol()
7506 v4lapl4[1] = 0.0e0; in func_pol()
7509 v4lapl4[2] = 0.0e0; in func_pol()
7512 v4lapl4[3] = 0.0e0; in func_pol()
7515 v4lapl4[4] = 0.0e0; in func_pol()
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